C47H60n7o10D10P (5 '-o- [BIS (4-Methoxyphenyl) -2 (1-.
CAT Nomer Pendaptaran
251647-55-9
H302
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 914.00 | - |
Pair (diprediksi) | 9.16 ± 0,20 | TEMP anu paling asam: 25 ° C |
Imut
N # cccop (OC1C (OC (N2C = NC = 3c (= O) n = C (C5 = CC (C. CC
Imutterik
C (OC [C @@ H] 1 [C @@ (OP (n (c (c) c) c2) (OC) c = c4) (c5 = cc = c (OC) c = c5) c5) ckt = cc = ckt
Atchi
Inchi = 1s / c47h60n7o10p / C1-30 (2) 43 (55) 51-46-50-49 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-11-32.7-19-32,347) 188 , 40-4144h, 13,25-28h2,1-9h3, (H2,51,51,52,50, 65-, 45-, M1-, M1-, 45-, 45-, 45-, 45-, 45-, 45-, 45-, 45-, An35
Konci inci
Ladcdgnebniebiaau-sbcraqivsa-n
17 ngaran séjén pikeun zat ieu
Guanosine, 5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O- (2-Metoxylethl) -N- (2-methl-1-oxopropil) -, 3 '- [2-cétoulylyl lis (1- fosfordia] 17: PN: US2003002030303017: 20 urutan ngaku; 18: PN: US2003030211606: 20
Urut ucing; 19: PN: US20040005569: 22 urutan anu ngaku; 21: PN: US2004000600006030: 23 urutan anu ngaku; 21: PN: US20040040047 halaman: 21 urutan anu ngaku; 21: PN: US20040040049 halaman: 21 urutan dituntut; 22: PN: US20030198965 PA
E: 20 urutan anu ngaku; 22: PN: US20040005004000550: 21 urutan anu ngaku; 22: PN: US200400400048 Halaman: 21 urutan ngaku;
22: PN: US200400400202020: 21 urutan dituntut; 23: PN: US2009400055655 Halaman: 17- 22 urus ngaku; 23: PN: US20040
014051 Halaman: 23 urutan anu ngaku; 24: PN: US200400400699 Halaman: 21 urutan dituntut; 25: PN: US200400060200029 halaman: 23 urutan anu ngaku; 25: PN: WO03106645 Halaman: 73 urutan anu ngaku; 96: PN: US200995705707: 21 urutan
Spéktra sayogi
13 c nmr
Hetero nmr
Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 121 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2580 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 23500 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 71800 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 89800 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 92100 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 91300 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 82500 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 42200 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 7860 | 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 | 164 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 3480 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 31700 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 96900 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 1.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kub | 1.24 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 1,23 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 1.11 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 56900 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 10600 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 3.95 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 5.28 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 6,24 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 6,73 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 6,82 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 6,83 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 6,83 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 6,79 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 6,50 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 5.77 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 6,837 ± 0,764 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 4.4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,34 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,016 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,7 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.6 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.4 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4,5 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.9 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.0 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.2 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4,5 x 10-4 g / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 4.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,7 x 10-5 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,9 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 6,2 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.0 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.8 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.4 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 | 5.7 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 4.9 x 10-7 mol / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
Beurat molekular | 914.00 | ||
Pka | 9.16 ± 0,20 | 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 | 22 | (1) ACD | |
H panarima | 17 | (1) ACD | |
H donor | 2 | (1) ACD | |
H donor / panarima | 19 | (1) ACD | |
logp | 6,837 ± 0,764 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 914.00 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Sumber kaayaan |
Daérah permukaan polar | 203 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1 h nmr
13 c nmr
Kode Perhatian Bahaya | |
H302 ngabahayakeun upami ditelek | Agénsi Kimia Éropa (Eka) Klasifikasi & Labeling Inventaris - panjelasan klasifikasi sareng pelesuaian - béwara anu paling umum, lembaga kimia Éropa (echana) Klasifikasi & Labél Inventori - Klasifikasi Klasifikasi sareng Labél - Kaseueuran Béja anu serius |