C48H54N7O8P Adenosine, N-BenZoyl-5 '-O- [BIS (4-methyphenyl) phenylmethyl] -2' - O-methyl-, 3 '- 2-cyanoethyl
Laharana fisoratana anarana CAS
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 887.96 | - |
PKA (nambara) | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C |
Tsiky kanonika
N # cccop (oc1c (oc (n2c = NC = 3C (= NC = NC32) NC (= C = CC = CC = C (OC) C = C (OC) C = C7) C = C (C (C (C (C (C (C (C (C (C
Mitsiky i Isomeric
C (OC [c @@ h] 1 [c @@ h] (op (c (c (c (c (c (n) c) occc # n) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = CC = CC = CC = CC = CC
Inchi
Inchi = 1s / c48h54n7o8p / c1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (4252-41444 (50-30-51-45 (41) 54) 53-46 (5 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,9-13-19-23-38 (57-5) 24-20-36) 37-20-36) 37-20-25-39 (58-6) 26-22-37 / h8-13,15-26,30-33,15-26 2-43,47H, 14,28-29h2,1-7H3, (H, 50,51,53,56) / T40-, 42-, 43- 47-, 64? / M1 / S1
Inchi Key
Azcgotuyepxhmj-psvhyzmasa-n
2 anarana hafa ho an'ity akora ity
Adenosine,N-benzoyl-5 '-O- [bis (4-metoxylhenchyl) phenylmethyl] -2 '-O-methyl-, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-dimethoxytrityl) -N6-Benzoyl-2' -O-methyladenosine 3 '- (2-CyanoethylN,N-diisopropylphosphoramidite)
Spectra misy
13 C NMR
Hetero nmr
-bahoaka
Fananana misy
niteraka
simika
Lipinski
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 4050 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 2.10 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 60800 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1830 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 48700 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 4.91 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.52 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.90 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.91 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.57 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 5.78 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 95000 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 27500 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 6.01 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 7.43 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 8.44 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 8.93 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 9.02 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 9.02 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 8.94 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 8.51 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 7.72 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 7.18 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.014 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.3 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.3 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.3 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.5 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.8 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.7 x 10-5 g / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.0 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.0 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 1.5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 5.1 x 10-8 Mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-6 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-8 mol / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 887.96 | ||
pka | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 19 | (1) ACD | |
H Mpanaja | 15 | (1) ACD | |
H mpamatsy vola | 1 | (1) ACD | |
H Donor / Accas Sum | 16 | (1) ACD | |
Logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 887.96 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
NY FANANANA | sarobidy | Loharano fepetra |
Faritra misy polar | 178 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1 h nmr
13 C NMR
fehezan-dalàna | Fanambarana momba ny loza | Source |
H335 | Mety hiteraka hatezerana | Expert Curated |
fehezan-dalàna | Fanambarana momba ny loza | Source |
H331 | Poizina raha voahosotra | Expert Curated |
H319 | Miteraka fahasosorana be loatra | Expert Curated |
H315 | Mahatonga ny fanelingelenana hoditra | Expert Curated |
H311 | Poizina mifandray amin'ny hoditra | Expert Curated |
H301 + H311 + H331 | Poizina raha mitelina, mifandray amin'ny hoditra na ny fofonaina | Expert Curated |
H301 | Poizina raha mitelina | Expert Curated |