![C40H49N4O9P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Prìomh fheartan corporra | Luach | Staid | |
| Cuideam Molecular | 760.81 | - | |
| pKa (Air a ro-innse) | 9.39±0.10 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
SMILES Isomeric
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InChI
InChI = 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
Iuchrach InChI
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Ainm eile do'n t-Suim so
Uridín, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Spectra ri fhaighinn
Aifreann
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 254 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2050 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 15400 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 46000 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 57500 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 58900 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 58900 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 56800 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 42300 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 12 200 | 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)
| Seilbh | Luach | Staid | Stòr |
| Còc | 389 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 3140 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 23600 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 70500 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 88100 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 90300 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 90 200 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 87100 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 64800 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 18700 | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 4.21 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 6.00 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 6.47 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 5.90 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 8.4 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.019 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.4 x 10-3 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 | 1.1 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.4 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.4 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.4 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.4 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.0 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.4 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.1 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.5 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.1 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 1.5 x 10-7 mol / l | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.2 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 760.81 | ||
| pKa | 9.39±0.10 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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)
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 18 | (1) ACD | |
| H Luchd-gabhail | 13 | (1) ACD | |
| H Luchd-tabhartais | 1 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 14 | (1) ACD | |
| logP | 6.581±0.646 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 760.81 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr suidheachadh |
| 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
1 H NMR
13 C NMR
| Còd | Aithris Cunnart | Stòr |
| H335 | Dh’ fhaodadh irioslachd analach adhbhrachadh | Eòlaiche air a ghlèidheadh |
| H331 | Toxic ma thèid a thoirt a-steach | Eòlaiche air a ghlèidheadh |
| H319 | Ag adhbhrachadh irioslachd mòr nan sùilean | Eòlaiche air a ghlèidheadh |
| H315 | Ag adhbhrachadh irritachadh craiceann | Eòlaiche air a ghlèidheadh |
| Còd | Aithris Cunnart | Stòr |
| H311 | Toxic ann an conaltradh ris a 'chraiceann | Eòlaiche air a ghlèidheadh |
| H301+H311+H331 | Toxic ma thèid a shlugadh, ann an conaltradh ris a 'chraiceann no le anail a-steach | Eòlaiche air a ghlèidheadh |
| H301 | Toxic ma thèid a shlugadh | Eòlaiche air a ghlèidheadh |
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