C53H6N7O8N7O8NI 'CAS henteu. Metleyleth) fosforamida] (Aci)
CAT Nomer Pendaptaran
10499255-4
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 988.19 | - |
Pair (diprediksi) | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C |
Imut
N # cccop (OC1C (OC (N2C = NC = 3c (= NC = NC32) NC (CC = CC Cc = c (OC) c = c7) n (c (c) c) c (c) c
Imutterik
C (OC [C @@ H] 1 [C @@ (OP (N (C (C) (C) (CT) N = cn3) (c5 = cc = c (OC) c = c5) (c6 = cc = c (oc) c7 = c7) c7
Atchi
Inchi = 1s / c53h66n7o8o8o8o8ns / c1-36 (2) 60 (37 (3) 4) 69 (65-32 ) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 (46) 68-750 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
Konci inci
Ffxhcncnhasxctct. Rfmfgjoa-n
1 ngaran sanés pikeun zat ieu
Adenosin,N-benzoyl-5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O- [(1,1-Zedleylocly) dimharetilSilyl] -, 3 '- [2-c cikoethilil Bis (1- fosilma) (9ci)
Spéktra sayogi
Nimbulkeun massa
Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 5.50 x 105 | 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 | 1,00 x 106 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Kaayaan | Sumber |
Kub | 61500 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 1.64 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 1.00 x 107 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 3.20 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kub | 9.24 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 8.81 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 10.24 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 11.24 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 11.73 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 11.83 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 11.83 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 11.75 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 11.31 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 10.53 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 9.99 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 11.845 ± 0,715 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 1.2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 3,5 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.1 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 9.9 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.4 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.7 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.2 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 8.9 x 10-6 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 6,3 x 10 * G / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.2 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 3.2 x 10-6 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1,2 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3,5 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.4 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.7 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.7 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.2 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 9.0 x 10-9 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 6,4 x 10-8 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.2 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.2 x 10-9 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Beurat molekular | 988.19 | ||
Pka | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 3.45 ± 0,70 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Kaayaan | Sumber |
Beungkeut bébas rotét | 21 | (1) ACD | |
H panarima | 15 | (1) ACD | |
H donor | 1 | (1) ACD | |
H donor / panarima | 16 | (1) ACD | |
logp | 11.845 ± 0,715 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 988.19 |
Harta | Nilai | Sumber kaayaan |
Daérah permukaan polar | 178 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Pangembangan kimia maju (ACD / Labs) Software V11.02 (© 199-202 Acd / Lab)
Spéktra sayogi
1 h nmr
13 c nmr