![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2-[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2-[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Delwedd dan Sylw](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2-[bis(4-methoxy ffenyl)ffenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 528.55 | - |
| Pwynt Toddi (Arbrofol) | 129.5-130 °C | - |
| Berwbwynt (Rhagweld) | 688.2±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.35 ± 0.1 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr |
| pKa (Rhagweld) | 12.51±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
Canonaidd gwenu O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2) 15-11-21) 37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Allwedd InChI
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Enwau Eraill ar y Sylwedd hwn
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-one (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Eiddo ar gael |
| Thermol |
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ymdoddbwynt | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy;Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2016), 35(8), 410-425, CAplws
| Sbectra ar gael |
| 1H NMR |
| 13C NMR |
| IR |
| Offeren |
Priodweddau Rhagfynegedig
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 1;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 2;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 3;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 4;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 5;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 6;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 7;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 8;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1360. llarieidd-dra eg | pH 9;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1350 | pH 10;Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 6080 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Tymheredd: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Tymheredd: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 5.8 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 5.8 x 10-4 g/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 1.1 x 10-6 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.1 x 10-6 mol/L | Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 528.55 | ||
| pKa | 12.51±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 6.91 x 10-20 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.35 ± 0.1 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 389.8±7.0 cm3/mol | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 9 | (1) ACD | |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| H Derbynwyr | 9 | (1) ACD | |
| H Rhoddwyr | 1 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 10 | (1) ACD | |
| logP | 4.424±0.618 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 528.55 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 99.1 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 688.2±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 105.96 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 370.0±34.3 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidin, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-ocsopropyl)- (9CI, ACI )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)