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)

vokatra

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)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Zava-dehibe

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

Anarana sy famantarana hafa

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 andrana

Spectra misy
1 H NMR
13 C NMR
Hetero NMR

Properties vinavinaina

Properties misy
niteraka
simika
Lipinski
Structure Related

niteraka

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)

simika

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)

Lipinski

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)

Structure Related

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 vinavina

Spectra misy
1 H NMR
13 C NMR

Fanambarana lozan'ny GHS

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


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