C36H39N5O8 guanosine, 5'-O- [BIS (4-Methoxyphenil) Phenylmontletll) -2'-o-oxyl-
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 669.72 | - |
Kapadetan (diprediksi) | 1.35 ± 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 = c5) cp
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (OC) NC = C5) CC = C2) CC) CC
= Cc = c6
Atchi
Inchi = 1s / C36H39n5o8 / C1-21 (2) 32 (43) 39-35-38 (47-504) 37-6-) 37-7-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-7-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-507) 37-508 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34
- / M1 / S1
Konci inci
IsqljrnuqhJxx-wifiacmssa-n
1 ngaran sanés pikeun zat ieu
5'-O- [BIS (4-Methoxyphuryl) Phenylmmethletl] -2'-o-metil-n- (2-methlropl) guanosine (Aci)
Sipat sayogi |
Biologis |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 797 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2030 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2400 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 250 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 250 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 250 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2420 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2170 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1070 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 195 | 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 | 3020 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 7680 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 9100 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 9270 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 9290 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 9280 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 9170 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 8220 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 4050 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 737 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 4.27 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 4.68 | pH 2; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
log As | 4.75 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 4.76 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 4.76 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 4.76 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 4.76 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 4.71 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 4.40 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 3.66 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 3.1 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.4 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.7 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3,5 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 7,4 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.9 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.1 x 10-4 g / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 4.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.5 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.7 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.6 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.2 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.8 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 4.6 x 10-7 mol / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
Beurat molekular | 669.72 | ||
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 | 1.35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 494.4 ± 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 | 12 | (1) ACD | |
H panarima | 13 | (1) ACD | |
H donor | 3 | (1) ACD | |
H donor / panarima | 16 | (1) ACD | |
logp | 4.763 ± 0,722 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 669.72 |
(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