C41H51N5GO8SI Guanosine, 5'-O- [BIS (4-Methoxyphenil) Phenylmmethlethl) -2' -
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 769.96 | - |
| Kapadetan (diprediksi) | 1.25 ± 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 = cp4) cc4) CC = c
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (O [Si] C) (C) (C) (C) (C) (C) (C) = O) n = c (nc (c (c) c) = o) n3) (c4 = ck = c cal5)
Atchi
Inchi = 1s / c41h51n5n5n5SI8 / C1-25 (2) 36 (48) 44-39-45-35 (48-38) 42-38) 42-38) 42-38) 42-38) 32-38) 32-38) 2 38) 38) 38 6-13-11-10-12-14-26,27-15-19-29(50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1-9H3,(H2,43,44,45,
48,49) / T31-, 33-, 34-, 38- / m1 / s1
Konci inci
JMCNKJFOIAIGGGGGGGGGGGGGS-N
1 ngaran sanés pikeun zat ieu
5'-O- [BIS (4-Methoxyphuryl) Phenylmethlethl] -2'-O - [
Spéktra sayogi
1h nmr
13c nmr
Nimbulkeun massa
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 1,38 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 3.53 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 4.18 X 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 4.26 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 4.26 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 4.26 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 4.21 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 3.77 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.86 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 33800 | 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 | 1.21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 3.08 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 3.65 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 3.72 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 3.73 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 3.72 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 3.68 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 3.30 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Kub | 1.62 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 29600 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 7.22 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 7.63 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 7.70 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 7.71 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 7.71 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 7.71 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 7.70 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 7.66 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 7.35 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 6,61 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 2.7 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 8.5 x 10-5 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.3 X 10-5 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.8 x 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.7 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.7 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.7 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.8 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.1 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 6,2 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3,5 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.8 x 10-5 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 3,5 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,1 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.3 x 10-8 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.6 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3,5 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3,5 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 3,5 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.6 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.0 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 8.1 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.5 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.6 x 10-8 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 769.96 | ||
| 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 | 1.25 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 615.5 ± 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 | 14 | (1) ACD | |
| H panarima | 13 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor / panarima | 16 | (1) ACD | |
| logp | 7.710 ± 0.709 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 769.96 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 155 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
