C43H55N4O10P Uridina, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)phosphor amidite] (ACI)
CAS rejistra laharana
163878-63-5
H302
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 818.89 | - |
pKa (voavinavina) | 9.55±0.10 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C=C(C(=O))NC2=O)C)C1OCCOC)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 Isomerika
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25- 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChI Key
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Anarana hafa ho an'ity akora ity
Uridina, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor
amidita] (9CI); 10: PN: US20030212017 PEJY: 18 milaza fa ARN; 11: PN: US20030211606 PEJY: 18 milaza fa RNA; 13: PN: US20040
005569 PEJY: 21 milaza fa RNA; 13: PN: US20040006030 PEJY: 22 milaza fa RNA; 13: PN: US20040014048 PEJY: 19 milaza fa RNA; 13: PN: US20040014049 PEJY: 19 milaza fa ARN; 14: PN: US20030198965 PEJY: 19 milaza fa RNA; 14: PN: US20040005565 PEJY: 17- 22 milaza fa ARN; 14: PN: US20040005570 PEJY: 19 milaza fa RNA; 14: PN: US20040014047 PEJY: 19 milaza fa RNA; 14: PN: US20040
014699 PEJY: 19 milaza fa RNA; 15: PN: US20040014050 PEJY: 19 milaza fa RNA; 15: PN: US20040014051 PEJY: 21 milaza fa RNA; 15:
PN: WO03106645 PEJY: 69 milaza fa RNA; 16: PN: US20040006029 PEJY: 22 milaza fa RNA; 87: PN: US20040005707 PEJY: 19 milaza fa RNA
Spectra misy
1 H NMR
13 C NMR
Hetero NMR
Properties misy
niteraka
simika
Lipinski
Structure Related
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 348 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2810 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 21100 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 63100 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 78800 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 80800 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 80800 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 78800 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 63400 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 21800 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 487 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.10 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Mafana: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Mafana: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Mafana: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Mafana: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 6,761±0,669 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 2,0 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,046 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,7 x 10-3 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 7,6 x 10-4 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,5 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,0 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,0 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,0 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,0 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,5 x 10-4 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 7,4 x 10-4 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 2,0 x 10-4 g/L | Rano tsy misy fangarony pH 7.00; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 2,4 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,6 x 10-5 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 7,0 x 10-6 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 9,3 x 10-7 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
Molar Solubility | 3,1 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,5 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,4 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,4 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,5 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 3,1 x 10-7 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 9,0 x 10-7 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 2,4 x 10-7 mol/L | Rano tsy misy fangarony pH 7.00; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 818.89 | ||
pKa | 9.55±0.10 | Mafana asidra indrindra: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana azo ahodina malalaka | 21 | (1) ACD | |
H Acceptors | 14 | (1) ACD | |
H Mpanome | 1 | (1) ACD | |
H Donor/Acceptor Sum | 15 | (1) ACD | |
logP | 6,761±0,669 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 818.89 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
Faritra ambonin'ny polar | 164 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1 H NMR
13 C NMR
Loharanon'ny fanambarana loza mitatao | |
H302 Manimba raha atelina | Fanasokajiana & fametahana marika Eoropeana Chemical Agency (ECHA). Inventory - Fanasokajiana sy fametahana fampandrenesana - fampandrenesana mahazatra indrindra, European Chemical Agency (ECHA) Fanasokajiana & fametahana marika - Fanasokajiana sy fametahana marika - fampandrenesana lehibe indrindra |