C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)

vokatra

C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 731.79 -
Teboka fandrehitra (andrana) 119-121 °C -
Density (voavinavina) 1,31±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr
pKa (voavinavina) 7.87±0.43 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

SMILES Canonical O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
SMILES Isomerique
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Anarana hafa ho an'ity akora ity
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI);17: PN: US20030211606 PEJY: laharana 19 voalaza;18: PN: US20040005569 PEJY: 22 voalaza filaharana;20: PN: US20040006030 PEJY: 23 voalaza filaharana;20: PN: US20040014047 PEJY: 21 voalaza filaharana;20: PN: US20040014049 PEJY: 21 voalaza filaharana;21: PN: US20040005570 PAG

E: 20 voalaza filaharana;21: PN: US20040014048 PEJY: 21 voalaza filaharana;21: PN: US20040014050 PEJY: 20 voalaza filaharana;22: PN: US20040005565 PEJY: 17- 22 filaharana voalaza;22: PN: US20040014051 PEJY: 23 voalaza filaharana;23: PN: US20040 014699 PEJY: 20 voalaza filaharana;24: PN: US20040006029 PEJY: 23 voalaza ny filaharana;24: PN: WO03106645 PEJY: 73 voalaza filaharana;5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine;95: PN: US20040005707 PEJY: filaharana 20 voalaza

Properties andrana

Properties misy
mafana

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mitsonika 119-121 °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 31700 pH 1;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.08 x 105 pH 2;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.43 x 105 pH 3;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.48 x 105 pH 4;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.48 x 105 pH 5;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1,45 x 105 pH 6;Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.19 x 105 pH 7;Mafana: 25 °C (1) ACD
Bioconcentration Factor 43000 pH 8;Mafana: 25 °C (1) ACD
Bioconcentration Factor 7050 pH 9;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 2060 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 37400 pH 1;Mafana: 25 °C (1) ACD
Koc 1.28 x 105 pH 2;Mafana: 25 °C (1) ACD
Koc 1.69 x 105 pH 3;Mafana: 25 °C (1) ACD
Koc 1,74 x 105 pH 4;Mafana: 25 °C (1) ACD
Koc 1,74 x 105 pH 5;Mafana: 25 °C (1) ACD
Koc 1.71 x 105 pH 6;Mafana: 25 °C (1) ACD
Koc 1.40 x 105 pH 7;Mafana: 25 °C (1) ACD
Koc 50700 pH 8;Mafana: 25 °C (1) ACD
Koc 8320 pH 9;Mafana: 25 °C (1) ACD
Koc 2430 pH 10;Mafana: 25 °C (1) ACD
logD 6.44 pH 1;Mafana: 25 °C (1) ACD
logD 6.97 pH 2;Mafana: 25 °C (1) ACD
logD 7.09 pH 3;Mafana: 25 °C (1) ACD
logD 7.11 pH 4;Mafana: 25 °C (1) ACD
logD 7.11 pH 5;Mafana: 25 °C (1) ACD
logD 7.10 pH 6;Mafana: 25 °C (1) ACD
logD 7.01 pH 7;Mafana: 25 °C (1) ACD
logD 6.57 pH 8;Mafana: 25 °C (1) ACD
logD 5.78 pH 9;Mafana: 25 °C (1) ACD
logD 5.25 pH 10;Mafana: 25 °C (1) ACD
logP 7.109±0.766 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 5,6 x 10-6 g/L Mafana: 25 °C (1) ACD
Mass Solubility 2,6 x 10-5 g/L pH 1;Mafana: 25 °C (1) ACD
Mass Solubility 7,3 x 10-6 g/L pH 2;Mafana: 25 °C (1) ACD
Mass Solubility 5,8 x 10-6 g/L pH 3;Mafana: 25 °C (1) ACD
Mass Solubility 5,6 x 10-6 g/L pH 4;Mafana: 25 °C (1) ACD
Mass Solubility 5,6 x 10-6 g/L pH 5;Mafana: 25 °C (1) ACD
Mass Solubility 5,7 x 10-6 g/L pH 6;Mafana: 25 °C (1) ACD
Mass Solubility 7,0 x 10-6 g/L pH 7;Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Mass Solubility 1,9 x 10-5 g/L pH 8;Mafana: 25 °C (1) ACD
Mass Solubility 1,2 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 7,0 x 10-6 g/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Molar intrinsic solubility 7,6 x 10-9 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 3,6 x 10-8 mol/L pH 1;Mafana: 25 °C (1) ACD
Molar Solubility 1,0 x 10-8 mol/L pH 2;Mafana: 25 °C (1) ACD
Molar Solubility 7,9 x 10-9 mol/L pH 3;Mafana: 25 °C (1) ACD
Molar Solubility 7,7 x 10-9 mol/L pH 4;Mafana: 25 °C (1) ACD
Molar Solubility 7,7 x 10-9 mol/L pH 5;Mafana: 25 °C (1) ACD
Molar Solubility 7,8 x 10-9 mol/L pH 6;Mafana: 25 °C (1) ACD
Molar Solubility 9,6 x 10-9 mol/L pH 7;Mafana: 25 °C (1) ACD
Molar Solubility 2,6 x 10-8 mol/L pH 8;Mafana: 25 °C (1) ACD
Molar Solubility 1,6 x 10-7 mol/L pH 9;Mafana: 25 °C (1) ACD
Molar Solubility 5,5 x 10-7 mol/L pH 10;Mafana: 25 °C (1) ACD
Molar Solubility 9,5 x 10-9 mol/L Rano tsy voaaro pH 7.00;Mafana: 25 °C (1) ACD
Lanja molekiola 731.79    
pKa 7.87±0.43 Mafana asidra indrindra: 25 °C (1) ACD
pKa 1.39±0.10 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)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,31±0,1 g/cm3 Mafana: 20 °C;Press: 760 Torr (1) ACD
Boky molar 556,9±7,0 cm3/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 15 (1) ACD
H Acceptors 13 (1) ACD
H Mpanome 2 (1) ACD
H Donor/Acceptor Sum 15 (1) ACD
 

 

NY FANANANA sarobidy toe-javatra Source
logP 7.109±0.766 Mafana: 25 °C (1) ACD
Lanja molekiola 731.79    

(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 148 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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