C38h37o8 henteu acan ditugaskeun
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 663.72 | - |
Kapadetan (diprediksi) | 1.304 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
Pair (diprediksi) | 8.27 ± 0,10 | TEMP anu paling asam: 25 ° C |
Kanonical {C1Nc (= O) n (c = C1c (= O) NCC = 2c = c3) CC = c3) c3) c3) c3) c3) c3) c3) c3) CC
Imutterik
C (OC [C @ H] 1o [C @ H] (C [C @@ H] 1o
Atchi
Inchi = 1s / C38h3n3n3n3o8 / C1-46-17-13-13-27 (14-18-29) 38-11-8-12-12-12) 488-15-10) 48-32) 48-32) 48-32) 48-32) 48-32) 48-32) 488) 48-32) 488) 48-32) 488) 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22,42-,42-,42-.42-
, 33 +, 34 + / m0 / s1
Konci inci
Nzbrvlzlzlz-lbfzijiwsa-n
Sipat sayogi |
Biologis |
Sipat sayogi |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 5250 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 5250 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 5260 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 5260 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 5250 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 5200 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 4720 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2460 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 466 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 96.9 | 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 | 16000 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 16000 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 16000 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 16000 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 16000 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 15800 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 14400 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 7510 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 1420 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 296 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 5.20 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 5.20 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 5.20 | pH 3; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
log As | 5.20 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 5.20 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 5.19 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 5.15 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 4.87 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 4.15 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 3.46 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 9.3 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.3 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,1 x 10 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.0 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.1 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.1 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,1 x 10 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1.4 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,6 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.0 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.6 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 7,7 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,6 x 10-8 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Beurat molekular | 663.72 | ||
Pka | 8.27 ± 0,10 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | -1.66 ± 0,20 | 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 | 1.304 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 508.6 ± 3.0 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 | 13 | (1) ACD | |
H panarima | 11 | (1) ACD | |
H donor | 3 | (1) ACD | |
H donor / panarima | 14 | (1) ACD | |
logp | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 663.72 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Daérah permukaan polar | 136 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr