C44H49N5N5N5N5O7Si Adénosin, N-Blazoyl-5'-O- [BIS (4-Methoxyphyltyl) Phenylmililil)
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 787.98 | - |
| Kapadetan (diprediksi) | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C |
Imut
O = c (nc1 = nc = nc2 = c1n = cn2c3oc (co (c = cc = cp = cc = cc = cp
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (O [Si] C) (C) C (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c- ck = c7) c7
Atchi
Inchi = 1s / C44H49n5o7si7si / C1-43 (2,3) 57 (67) 56-38-38-36.50-14-185-38 9) 2/654-44 (30-16-12-9-13-17-30.3128-33 (52-48,45,50,50,50,5-,50,50,5-7-300, (H, 52h2, (H,
45,46,48,51) / T35-, 37-, 38-, 42- / m1 / s1
Konci inci
Dazigopasnpccccj
2 ngaran séjén pikeun zat ieu
N-bilzoyl-5'-o- [BIS (4--Metoxyphenyl N6-benzoyl-5'-o- (4,4'- dimpettoxstrity) -2'-o- (tert-wirallimetililil) Adenosine
Spéktra sayogi
1h nmr
Hetero nmr
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 1,00 x 106 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1,00 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 5.41 x 105 | 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 | 2.01 x 106 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 6,87 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 9.08 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 9.38 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 9.39 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 9.19 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 7.53 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 2.73 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| Kub | 4.48 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 1.31 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 9,62 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 10.15 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 10.27 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 10.29 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 10.29 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 10.28 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 10.19 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 9.75 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 8.97 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 8.43 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 4.8 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1.4 x 10-6 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1.1 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1.0 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1.0 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1.0 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3,5 x 10-6 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.2 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 7.6 x 10 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-6 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 1.4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,1 x 10-9 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,8 x 10-9 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.4 x 10-9 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.3 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.3 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 1.3 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.6 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.5 x 10-9 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 2.8 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 9.6 x 10-8 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.6 x 10-9 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 787.98 | ||
| Pka | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | 1.39 ± 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 | 1.23 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 639.5 ± 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 | 12 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor / panarima | 14 | (1) ACD | |
| logp | 10.291 ± 0,708 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 787.98 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 139 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
