![C30H28N2O7 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 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]ocsasolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Delwedd Nodwedd](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 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 | - |
| Pwynt Berwi (Rhagfynegedig) | 688.2±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.35±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 12.51±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
GWÊNAU Isomerig 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 Enw Arall ar gyfer y Sylwedd hwn
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyffenyl)ffenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4,5]ocsazolo[3,2-a]pyrimidin-6-on (ACI); 6H-Furo[2′,3′:4,5]ocsazolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxyffenyl)ffenylmethoxy]methyl]-2,3,3a,9a-
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Eiddo sydd ar gael |
| Thermol |
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Toddi | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2016), 35(8), 410-425, CAplus
| Spectra sydd ar gael |
| 1H NMR |
| 13C NMR |
| IR |
| Màs |
Priodweddau Rhagfynegedig
| Eiddo sydd ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
| Thermol |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1360 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1360 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1360 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1350 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (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 Màs | 5.8 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.8 x 10-4 g/L | Dŵr Heb ei Gluffio 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 Gluffio 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.35±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 389.8±7.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 9 | (1) ACD | |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Derbynyddion H | 9 | (1) ACD | |
| Rhoddwyr H | 1 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 10 | (1) ACD | |
| logP | 4.424±0.618 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 528.55 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Wyneb Pegynol | 99.1 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Berwi | 688.2±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi 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 Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
![C44H49N5O7Si Adenosin, N-bensoyl-5′-O-[bis(4-methoxyffenyl)ffenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C17H19N3O6 Thymidin, α-ocso-α-[(ffenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C40H49N4O9P Wridin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C21H21N3O6 Thymidin, α – [(1-naffthalenylmethyl)amino]-α -ocso- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)