![C39H37N5O7 Adenosin, N-bensoyl-5′-O-[bis(4-methoxyffenyl)ffenylmethyl]-2′-O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-bensoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9CI, ACI) Delwedd Nodwedd](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosin, N-bensoyl-5′-O-[bis(4-methoxyffenyl)ffenylmethyl]-2′-O-methyl- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 687.74 | - |
| Dwysedd (Rhagfynegedig) | 1.32±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 7.87±0.43 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC)C=7C=CC=CC7
GWÊNAU Isomerig
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6) C7=CC=CC=C7
InChI
InChI=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9 -13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51- 31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,
34-,38-/m1/eiliad
Allwedd InChI
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Enw Arall ar gyfer y Sylwedd hwn
N-Bensoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyladenosine (ACI)
Spectra sydd ar gael
1H NMR
13C NMR
Màs
Eiddo sydd ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Cysylltiedig â Strwythur
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 47800 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.63 x 105 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 2.16 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 2.23 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 2.23 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 2.18 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.79 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 64900 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 10600 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 3110 | 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 | 50200 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.71 x 105 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.26 x 105 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.34 x 105 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.34 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 2.29 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.88 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 68000 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 11200 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 3260 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 6.67 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 7.21 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 7.34 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 7.25 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 6.80 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 6.02 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 5.49 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 7.344±0.723 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 2.7 x 10-6 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.2 x 10-5 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.7 x 10-6 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.8 x 10-6 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.8 x 10-6 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.8 x 10-6 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 2.8 x 10-6 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.4 x 10-6 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 9.6 x 10-6 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 5.7 x 10-5 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 1.9 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.4 x 10-6 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 3.9 x 10-9 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.8 x 10-8 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 5.4 x 10-9 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.1 x 10-9 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.0 x 10-9 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.0 x 10-9 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 4.0 x 10-9 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.9 x 10-9 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-8 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.3 x 10-8 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.8 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 4.9 x 10-9 mol/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 687.74 | ||
| pKa | 7.87±0.43 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | 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 | 1.32±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 518.5±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 | 12 | (1) ACD | |
| Derbynyddion H | 12 | (1) ACD | |
| Rhoddwyr H | 2 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 14 | (1) ACD | |
| logP | 7.344±0.723 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 687.74 |
(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 | 139 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
Spectra sydd ar gael
13C NMR
![C42H52N5O9P Cytidin, N-asetyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C9H10N2O5 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo-300x300.png)
![C53H66N7O8PSi RHIF CAS: 104992-55-4 Adenosin, N-bensoyl-5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C31H30N2O7 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-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C44H53FN7O8 Guanosin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -deoxy-2′ – fflworo-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)ffosfforamidit] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![118 Re36H44N2O8Si Wridin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)