C38H37N3O8 Heb ei Aseinio Eto
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 663.72 | - |
| Dwysedd (Rhagfynegedig) | 1.304±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 8.27±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3
GWÊNAU Isomerig
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8 -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(3),4,4,4,4,1-2H3
,33+,34+/m0/s1
Allwedd InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
| Eiddo sydd ar gael |
| Biolegol |
| Eiddo sydd ar gael |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 5250 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 5250 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 5260 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 5260 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 5250 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 5200 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 4720 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 2460 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 466 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 96.9 | 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 | 16000 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 16000 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 16000 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 16000 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 16000 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 15800 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 14400 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 7510 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 1420 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 296 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logD | 5.20 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 4.87 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 3.46 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 9.3 x 10-6 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.3 x 10-6 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.1 x 10-5 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.0 x 10-5 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.1 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.1 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.1 x 10-5 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 1.4 x 10-8 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-8 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.0 x 10-8 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.7 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-8 mol/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwysau Moleciwlaidd | 663.72 | ||
| pKa | 8.27±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Tymheredd Mwyaf Sylfaenol: 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 | 1.304±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 508.6±3.0 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 | 13 | (1) ACD | |
| Derbynyddion H | 11 | (1) ACD | |
| Rhoddwyr H | 3 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 14 | (1) ACD | |
| logP | 5.198±0.644 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 663.72 |
(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 | 136 A2 | (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
![C10H12N2O5 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C50H58N7O9P Adenosin, N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C41H51N5O8Si Guanosin, 5′-O-[bis(4-methoxyffenyl)ffenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-ocsopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
![C45H56N7O9P Guanosin, 5′ -O-[bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-methyl-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)