C41H51N5O8SI Guanosine, 5'-O- [BIS (4-Movhyphenyl) phenylmethyl] -2'-O - O - [(1,1- dimethylethyl)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 769.96 | - |
Fahalemena (nambara) | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 9.16 ± 0.20 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles o = C1n = C (NC (= O) C (C) C (C) NC2 = CN2C3OC (COC (CC4) C = C (OC) C = C (O) C (O) C3o (C) C (O) C (C) C (O) C3o [C
Mitsiky i Isomeric
C (OC [C @ avy] 1o [C @ h] ([C @ si] (O [C (C (C (C) C) (C) C) (C) C) [C @@ h] 1o) N2C3 = C (N = C2) C ( = O n = c (c (c (c (c (c (c (c (c (c (c4 = cc = c (oc) c = c4)
Inchi
Inchi = 1s / c41h51n5o8si / c1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39) 42-24-4 (8,4) 40 (3,4) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-10-11-10-11-14-26,27-6) 20-17-27) 28-17-21) 28-17-21-30 (51-7) 22-18-28 / h10-22,24-25,31-25,31,33-34,38,33-34,38,33-34,38,33-34,38,33-343, 23h2,13 44444445,4,45,444445
48,49) / T31-, 33-, 34-, 38- / M1 / S1
Inchi Key
Jmcnkjfoijgyrg-cjegosrcsa-n
1 anarana hafa ho an'ity akora ity
5'-O- [BIS (4-metylhonyl) phenylmethyl] -2'-O - [(1,1-dimethethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl) guanosine (Aci)
Spectra misy
1H NMR
13c NMR
-bahoaka
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1.38 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3.53 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4.18 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4.26 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4.26 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4.26 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 4.21 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3.77 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.86 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 33800 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.21 x 105 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 3.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.65 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 3.73 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 3.72 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 3.68 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 3.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 1.62 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 29600 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 7.22 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 7.63 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 7.70 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 7.71 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 7.71 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 7.71 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 7.70 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 7.66 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 7.35 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 6.61 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 8.5 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.3 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.8 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.7 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.7 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.1 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 6.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.5 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.8 x 10-5 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 3.5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.3 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 3.5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.0 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 8.1 x 10-8 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 769.96 | ||
pka | 9.16 ± 0.20 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 1.73 ± 0.10 | 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)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.25 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 615.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 14 | (1) ACD | |
H Mpanaja | 13 | (1) ACD | |
H mpamatsy vola | 3 | (1) ACD | |
H Donor / Accas Sum | 16 | (1) ACD | |
Logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 769.96 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 155 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR