C15H21N5O6 Ganaosin, 2'-o-metil-n- (2-metil-1-oileophropil) - (9ci, Aci)
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 367.36 | - |
Kapadetan (diprediksi) | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
Pair (diprediksi) | 9.16 ± 0,20 | TEMP anu paling asam: 25 ° C |
Kanonical imut o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cing) c (o) c
Isomeeric @ (c) [c @ H] 1 [c @ h] (n2c3 = c (n = c) 1 C (
Atchi
Inchi = 1s / C15H21N5N5O6 / C1-6 (2) 12 (23) 18-15-17-11-8 (1-50,5-14,7,7,50,517,7,50,50,50,50,50,50,7,7,00,00,50) 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Konci inci
Rpulcyxyxqog-akaijsgsa-n
2 ngaran séjén pikeun zat ieu
2'-O-Meth-N- (2-methl-1-oxopropil) guanosine (ACI);N2-isobutyryl-2'-O-methiwuososin
Spéktra sayogi
1h nmr
13c nmr
Nimbulkeun massa
Sipat sayogi |
Biologis |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
Harta | Nilai | Kaayaan | Sumber |
Kub | 2.12 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 8.67 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 12.6 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 13.3 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 13.3 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 13.3 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 13.2 | pH 7; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kub | 12,5 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 7,85 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 1,76 | pH 10; Temp: 25 ° C | (1) ACD |
log As | -1.26 | pH 1; Temp: 25 ° C | (1) ACD |
log As | -0.65 | pH 2; Temp: 25 ° C | (1) ACD |
log As | -0.49 | pH 3; Temp: 25 ° C | (1) ACD |
log As | -0.47 | pH 4; Temp: 25 ° C | (1) ACD |
log As | -0.46 | pH 5; Temp: 25 ° C | (1) ACD |
log As | -0.46 | pH 6; Temp: 25 ° C | (1) ACD |
log As | -0.47 | pH 7; Temp: 25 ° C | (1) ACD |
log As | -0.49 | pH 8; Temp: 25 ° C | (1) ACD |
log As | -0.69 | pH 9; Temp: 25 ° C | (1) ACD |
log As | -1.34 | pH 10; Temp: 25 ° C | (1) ACD |
logp | -0.464 ± 0,636 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 0,55 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 3,5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,84 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.59 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,55 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,55 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,55 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,55 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.59 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.96 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,55 g / l | Cai pH 6,00; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1,5 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 9.6 x 10-3 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.3 x 10-3 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,6 x 10-3 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-3 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-3 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 1,5 x 10-3 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,6 x 10-3 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.6 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 0,012 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-3 mol / l | Cai pH 6,00; Temp: 25 ° C | (1) ACD |
Beurat molekular | 367.36 | ||
Pka | 9.16 ± 0,20 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 1.73 ± 0,10 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
Harta | Nilai | Kaayaan | Sumber |
Perténaran | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 217.6 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
Harta | Nilai | Kaayaan | Sumber |
Beungkeut bébas rotét | 6 | (1) ACD | |
H panarima | 11 | (1) ACD | |
H donor | 4 | (1) ACD | |
H donor / panarima | 15 | (1) ACD | |
logp | -0.464 ± 0,636 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 367.36 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Daérah permukaan polar | 147 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
Spéktra sayogi
13c nmr