![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI) Ìomhaigh Sònraichte](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
Àireamh Clàraidh CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 887.96 | - |
| pKa (Ro-innse) | 7.87±0.43 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach
N#CCCOP(OC1C(OC(N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)N(C)C
Gàire Isomeric
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O1)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/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(51-45(51-45) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/u8-13,15-26,30-33,40,4 2-43,47U,14,28-29U2,1-7U3,(U,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
Iuchair InChI
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Ainmean Eile airson an Stuth seo
Adenosine,N-beinsoil-5′ -O- [bis(4-methocsaiphenyl)phenylmethyl]-2′ -O-methyl-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI); 5′-O-(4,4′-dimethocsaitritil)-N6-beinsoil-2′ -O-meitioladenosine 3′-(2-cyanoethylN,N-diisopropylphosphoramidite)
Speactra ri fhaighinn
13C NMR
NMR Hetero
Aifreann
Togalaichean a tha rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 4050 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.08 x 105 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 1.00 x 106 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 2.10 x 105 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 60800 | 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)
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 1830 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 48700 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 4.91 x 105 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.52 x 106 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.90 x 106 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.91 x 106 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.57 x 106 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 5.78 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 95000 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 27500 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 6.01 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 7.43 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 8.44 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 8.93 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 9.02 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 9.02 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 8.94 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 8.51 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 7.72 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 7.18 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 9.038±0.723 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 1.4 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.014 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.3 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.3 x 10-5 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 4.5 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.8 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 9.8 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.7 x 10-5 g/L | Uisge gun bhùfradh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 1.6 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.0 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.0 x 10-8 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.5 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 1.5 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 5.1 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.1 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.1 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-8 mol/L | Uisge gun bhùfradh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 887.96 | ||
| pKa | 7.87±0.43 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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)
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 19 | (1) ACD | |
| Gabhadairean H | 15 | (1) ACD | |
| Luchd-tabhartais H | 1 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 16 | (1) ACD | |
| logP | 9.038±0.723 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 887.96 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr an t-suidheachaidh |
| Raon Uachdar Pòlach | 178 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
13C NMR
| Còd | Aithris Cunnart | Stòr |
| H335 | Dh’fhaodadh e irioslachd analach adhbhrachadh | Air a thaghadh le eòlaichean |
| Còd | Aithris Cunnart | Stòr |
| H331 | Puinnseanta ma thèid anail a thoirt a-steach | Air a thaghadh le eòlaichean |
| H319 | Ag adhbhrachadh irioslachd throm nan sùilean | Air a thaghadh le eòlaichean |
| H315 | Adhbharan irioslachd craicinn | Air a thaghadh le eòlaichean |
| H311 | Puinnseanta ann an conaltradh ris a’ chraiceann | Air a thaghadh le eòlaichean |
| H301+H311+H331 | Puinnseanta ma shluigear e, ma thèid a chur ann an conaltradh ris a’ chraiceann no ma thèid a thoirt a-steach don chraiceann. | Air a thaghadh le eòlaichean |
| H301 | Puinnseanta ma shluigear e | Air a thaghadh le eòlaichean |
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