C30H29FN2O7 Uridina, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

vokatra

C30H29FN2O7 Uridina, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 548.56 -
Teboka fandrehitra (andrana) 118-120 °C -
Density (voavinavina) 1,38±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr
pKa (voavinavina) 9.39±0.10 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

SMILES Canonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
SMILES Isomerik C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChI Key
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Anarana hafa amin'ity akora ity
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)

Properties andrana

Properties misy
mafana

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mitsonika 118-120 °C (1) CAS

(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Nucleic Acid, (2018), 37(4), 232-247, CAplus

Spectra andrana

Spectra misy
1H NMR
13C NMR

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 3580 pH 1;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3580 pH 2;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3580 pH 3;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3580 pH 4;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3580 pH 5;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3580 pH 6;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3570 pH 7;Mafana: 25 °C (1) ACD
Bioconcentration Factor 3430 pH 8;Mafana: 25 °C (1) ACD
Bioconcentration Factor 2500 pH 9;Mafana: 25 °C (1) ACD
Bioconcentration Factor 689 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 12200 pH 1;Mafana: 25 °C (1) ACD
Koc 12200 pH 2;Mafana: 25 °C (1) ACD
Koc 12200 pH 3;Mafana: 25 °C (1) ACD
Koc 12200 pH 4;Mafana: 25 °C (1) ACD
Koc 12200 pH 5;Mafana: 25 °C (1) ACD
Koc 12200 pH 6;Mafana: 25 °C (1) ACD
Koc 12100 pH 7;Mafana: 25 °C (1) ACD
Koc 11700 pH 8;Mafana: 25 °C (1) ACD
Koc 8480 pH 9;Mafana: 25 °C (1) ACD
Koc 2340 pH 10;Mafana: 25 °C (1) ACD
logD 4.98 pH 1;Mafana: 25 °C (1) ACD
logD 4.98 pH 2;Mafana: 25 °C (1) ACD
logD 4.98 pH 3;Mafana: 25 °C (1) ACD
logD 4.98 pH 4;Mafana: 25 °C (1) ACD
logD 4.98 pH 5;Mafana: 25 °C (1) ACD
logD 4.98 pH 6;Mafana: 25 °C (1) ACD
logD 4.98 pH 7;Mafana: 25 °C (1) ACD
logD 4.96 pH 8;Mafana: 25 °C (1) ACD
logD 4.82 pH 9;Mafana: 25 °C (1) ACD
logD 4.26 pH 10;Mafana: 25 °C (1) ACD
logP 4.979±0.563 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 9,9 x 10-5 g/L Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 1;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 2;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 3;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 4;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 5;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 6;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 7;Mafana: 25 °C (1) ACD
Mass Solubility 9,9 x 10-5 g/L pH 8;Mafana: 25 °C (1) ACD
Mass Solubility 1,4 x 10-4 g/L pH 9;Mafana: 25 °C (1) ACD
Mass Solubility 5,0 x 10-4 g/L pH 10;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Mass Solubility 9,9 x 10-5 g/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Molar intrinsic solubility 1,8 x 10-7 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 1;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 2;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 3;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 4;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 5;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 6;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 7;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L pH 8;Mafana: 25 °C (1) ACD
Molar Solubility 2,5 x 10-7 mol/L pH 9;Mafana: 25 °C (1) ACD
Molar Solubility 9,2 x 10-7 mol/L pH 10;Mafana: 25 °C (1) ACD
Molar Solubility 1,8 x 10-7 mol/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Lanja molekiola 548.56    
pKa 9.39±0.10 Mafana asidra indrindra: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,38±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr (1) ACD
Boky molar 395.8±5.0cm3/mol Mafana: 20 °C;Press: 760 Torr (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 10   (1) ACD
H Acceptors 9   (1) ACD
H Mpanome 2   (1) ACD
H Donor/Acceptor Sum 11   (1) ACD
logP 4.979±0.563 Mafana: 25 °C (1) ACD
Lanja molekiola 548.56    

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy

toe-javatra

Source
Faritra ambonin'ny polar 107 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
1H NMR
13C NMR


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