![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 669.72 | - |
| Dùmhlachd (Ro-innse) | 1.35 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 9.16±0.20 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3OC
SMILES Isomeric
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C3=C(N=C2)C(=O)N=C(NC( C(C)C=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=CC=C6
InChI
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5) 29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25(45-3)16-12-23)24 -13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40, 43,44)/t27-,29-,30-,34
-/m1/s1
Iuchrach InChI
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Ainm eile do'n t-Suim so
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 797 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2030 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2400 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2450 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2450 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2450 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2420 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2170 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1070 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 195 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 3020 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 7680 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 9100 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 9270 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 9290 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 9280 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 9170 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 8220 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 4050 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 737 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 4.27 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 4.68 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 4.75 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 4.76 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 4.76 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 4.76 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 4.76 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.71 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 4.40 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 4.763±0.722 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 3.1 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.4 x 10-4 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.7 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 7.4 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.9 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-4 g/L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 4.6 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-6 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.7 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.2 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 4.6 x 10-7 mol/L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 669.72 | ||
| pKa | 9.16±0.20 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.35 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 494.4 ± 7.0 cm3 / mol | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 12 | (1) ACD | |
| H Luchd-gabhail | 13 | (1) ACD | |
| H Luchd-tabhartais | 3 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 16 | (1) ACD | |
| logP | 4.763±0.722 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 669.72 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 155 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
13C NMR
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