![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-methyl- (9CI, ACI) Ìomhaigh Sònraichte](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9CI, ACI)
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 687.74 | - |
| Dlùths (Ro-innse) | 1.32±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 7.87±0.43 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach 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
Gàire Isomeric
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/u4-21,23-24,31,33-34,38,45U,22U2,1-3U3,(U,40,41,43,46)/t31-,33-,
34-,38-/m1/s1
Iuchair InChI
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Ainm eile airson an stuth seo
N-Beinsoil-5′-O-[bis(4-methocsaiphenyl)phenylmethyl]-2′-O-meitioladenosine (ACI)
Speactra ri fhaighinn
1H NMR
13C NMR
Aifreann
Togalaichean a tha rim faighinn
Bith-eòlasach
Ceimigeach
Dlùths
Lipinski
Co-cheangailte ri Structar
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 47800 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.63 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.16 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.23 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.23 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.18 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.79 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 64900 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 10600 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3110 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 50200 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.71 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.26 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.34 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.34 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 2.29 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.88 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 68000 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 11200 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 3260 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 6.67 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 7.21 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 7.34 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 7.25 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 6.80 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 6.02 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 5.49 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 7.344±0.723 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 2.7 x 10-6 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.2 x 10-5 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.7 x 10-6 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.8 x 10-6 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.8 x 10-6 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.8 x 10-6 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.8 x 10-6 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.4 x 10-6 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.6 x 10-6 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.7 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.9 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 3.4 x 10-6 g/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 3.9 x 10-9 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-8 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 5.4 x 10-9 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.1 x 10-9 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.0 x 10-9 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.0 x 10-9 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 4.0 x 10-9 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.9 x 10-9 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 8.3 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.8 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 4.9 x 10-9 mol/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 687.74 | ||
| pKa | 7.87±0.43 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.32±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 518.5±7.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 12 | (1) ACD | |
| Gabhadairean H | 12 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 14 | (1) ACD | |
| logP | 7.344±0.723 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 687.74 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 139 A2 | (1) ACD | |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
Speactra ri fhaighinn
13C NMR
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