C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramide] (ACI)

vokatra

C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramide] (ACI)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Zava-dehibe

CAS rejistra laharana

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Toetra ara-batana fototra sarobidy   toe-javatra
Lanja molekiola 760.81   -
pKa (voavinavina) 9.39±0.10   Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

Canonical SMILES

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 Isomerika

C(OC[C@@H]1[C@@H](OP(N(C(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

InChI Key

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Anarana hafa amin'ity akora ity

Uridina, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Spectra misy

-bahoaka

Properties vinavinaina

Properties misy
niteraka
simika
Lipinski
Structure Related

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 254 pH 1; Mafana: 25 °C (1) ACD
Bioconcentration Factor 2050 pH 2; Mafana: 25 °C (1) ACD
Bioconcentration Factor 15400 pH 3; Mafana: 25 °C (1) ACD
Bioconcentration Factor 46000 pH 4; Mafana: 25 °C (1) ACD
Bioconcentration Factor 57500 pH 5; Mafana: 25 °C (1) ACD
Bioconcentration Factor 58900 pH 6; Mafana: 25 °C (1) ACD
Bioconcentration Factor 58900 pH 7; Mafana: 25 °C (1) ACD
Bioconcentration Factor 56800 pH 8; Mafana: 25 °C (1) ACD
Bioconcentration Factor 42300 pH 9; Mafana: 25 °C (1) ACD
Bioconcentration Factor 12200 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 389 pH 1; Mafana: 25 °C (1) ACD
Koc 3140 pH 2; Mafana: 25 °C (1) ACD
Koc 23600 pH 3; Mafana: 25 °C (1) ACD
Koc 70500 pH 4; Mafana: 25 °C (1) ACD
Koc 88100 pH 5; Mafana: 25 °C (1) ACD
Koc 90300 pH 6; Mafana: 25 °C (1) ACD
Koc 90200 pH 7; Mafana: 25 °C (1) ACD
Koc 87100 pH 8; Mafana: 25 °C (1) ACD
Koc 64800 pH 9; Mafana: 25 °C (1) ACD
Koc 18700 pH 10; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
logD 4.21 pH 1; Mafana: 25 °C (1) ACD
logD 5.12 pH 2; Mafana: 25 °C (1) ACD
logD 6.00 pH 3; Mafana: 25 °C (1) ACD
logD 6.47 pH 4; Mafana: 25 °C (1) ACD
logD 6.57 pH 5; Mafana: 25 °C (1) ACD
logD 6.58 pH 6; Mafana: 25 °C (1) ACD
logD 6.58 pH 7; Mafana: 25 °C (1) ACD
logD 6.56 pH 8; Mafana: 25 °C (1) ACD
logD 6.44 pH 9; Mafana: 25 °C (1) ACD
logD 5.90 pH 10; Mafana: 25 °C (1) ACD
logP 6,581±0,646 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 8,4 x 10-5 g/L Mafana: 25 °C (1) ACD
Mass Solubility 0,019 g/L pH 1; Mafana: 25 °C (1) ACD
Mass Solubility 2,4 x 10-3 g/L pH 2; Mafana: 25 °C (1) ACD
Mass Solubility 3,1 x 10-4 g/L pH 3; Mafana: 25 °C (1) ACD
Mass Solubility 1,1 x 10-4 g/L pH 4; Mafana: 25 °C (1) ACD
Mass Solubility 8,4 x 10-5 g/L pH 5; Mafana: 25 °C (1) ACD
Mass Solubility 8,4 x 10-5 g/L pH 6; Mafana: 25 °C (1) ACD
Mass Solubility 8,4 x 10-5 g/L pH 7; Mafana: 25 °C (1) ACD
Mass Solubility 8,4 x 10-5 g/L pH 8; Mafana: 25 °C (1) ACD
Mass Solubility 1,1 x 10-4 g/L pH 9; Mafana: 25 °C (1) ACD
Mass Solubility 4,0 x 10-4 g/L pH 10; Mafana: 25 °C (1) ACD
Mass Solubility 8,4 x 10-5 g/L Rano tsy misy fangarony pH 7.00; Mafana: 25 °C (1) ACD
Molar intrinsic solubility 1,1 x 10-7 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 2,5 x 10-5 mol/L pH 1; Mafana: 25 °C (1) ACD
Molar Solubility 3,1 x 10-6 mol/L pH 2; Mafana: 25 °C (1) ACD
Molar Solubility 4,1 x 10-7 mol/L pH 3; Mafana: 25 °C (1) ACD
Molar Solubility 1,4 x 10-7 mol/L pH 4; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L pH 5; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L pH 6; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L pH 7; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L pH 8; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 1,5 x 10-7 mol/L pH 9; Mafana: 25 °C (1) ACD
Molar Solubility 5,2 x 10-7 mol/L pH 10; Mafana: 25 °C (1) ACD
Molar Solubility 1,1 x 10-7 mol/L Rano tsy misy fangarony pH 7.00; Mafana: 25 °C (1) ACD
Lanja molekiola 760.81    
pKa 9.39±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 18   (1) ACD
H Acceptors 13   (1) ACD
H Mpanome 1   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 6,581±0,646 Mafana: 25 °C (1) ACD
Lanja molekiola 760.81    

(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 155 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

fehezan-dalàna Fanambarana loza Source
H335 Mety hiteraka fahasosorana taovam-pisefoana Expert Curated
H331 Poizina raha sitrana Expert Curated
H319 Miteraka fahasorenana mafy ny maso Expert Curated
H315 Mahatonga fahasosorana amin'ny hoditra Expert Curated

 

fehezan-dalàna Fanambarana loza Source
H311 Poizina mifandray amin'ny hoditra Expert Curated
H301+H311+H331 Poizina raha atelina, mifandray amin'ny hoditra na voafoka Expert Curated
H301 Poizina raha atelina Expert Curated

  • teo aloha:
  • Manaraka:

  • Soraty eto ny hafatrao ary alefaso aminay