C48h54N74N7O8P, n-Buzoyl-5 '-o- [BIS (4-metoxyphtil) - Achi)
CAT Nomer Pendaptaran
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 887.96 | - |
| Pair (diprediksi) | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C |
Imut
N # cccop (OC1C (OC (N2C = Nc = 3c (= NC = NC32) NC = CC4) CC = CC4) CC = CC4) CC = CC4) CC = CC = CCA) CC = CC
Imutterik
C (OC [C @@ H] 1 [C @@ (OP (n (c (c) c. C (OC) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = c7
Atchi
Inchi = 1s / C48H54n7o8p / C1-32 (2) 55 (33 (3) 64 (64-45-40 (43-45-450 (43-46 (43-50 6) 34-15-15-8-11-16-34) 29-60-480-48 (35-17-12--18-18-35,30,40,40,40,4) 27-22,400-38,40-38 )4 2-43.47h, 14,28-29h2,1-7h3, (H, 50.51,53,56), 42-, 42-, 42-, Ann / S1
Konci inci
Azcgintuyyymmj
2 ngaran séjén pikeun zat ieu
Adenosin,N-benzoyl-5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O-Methyl-, 3 '- [2-c canoétyil BIS (1-mile métyleth) fosfordia] (9Ci); 5 '-O- (4,4 '-dimethoxstrimit) -n6-benzoyl-2' -O-Methyladenosine 3 '- (2-cyooethilN,N-Diisopropylphosphosite)
Spéktra sayogi
13 c nmr
Hetero nmr
Nimbulkeun massa
Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 4050 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.08 x 105 | 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 | 2.10 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 60800 | 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 | 1830 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 48700 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 4.91 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 1,52 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 1.90 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Kub | 1.91 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 1,57 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 5.78 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Kub | 95000 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 27500 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 6.01 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 7,43 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 8.44 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 8.93 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 9.02 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 9.02 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 8.94 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 8.51 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 7.72 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 7.18 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 1.4 x 10 * G / L | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,014 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 5.3 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 5.3 X 10-5 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,7 x 10o g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,3 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,7 x 10o g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 4.5 x 10-5 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 2.8 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 9.8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,7 x 10o g / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 1,6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1.6 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6.0 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6.0 x 10-8 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,9 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,5 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 1,5 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,9 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 5.1 x 10-8 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.1 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,1 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 1,9 x 10-8 mol / l | Cai pH 6,99; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 887.96 | ||
| 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 | 19 | (1) ACD | |
| H panarima | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor / panarima | 16 | (1) ACD | |
| logp | 9.038 ± 0,723 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 887.96 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| 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)
Spéktra sayogi
1 h nmr
13 c nmr
| Kode | Pernyataan Bahaya | Sumber |
| H335 | Tiasa ngabalukarkeun iritasi respirator | Ahli terarah |
| Kode | Pernyataan Bahaya | Sumber |
| H331 | Toksik upami dihirup | Ahli terarah |
| H319 | Ngabalukarkeun iritasi panon serius | Ahli terarah |
| H315 | Ngabalukarkeun iritasi kulit | Ahli terarah |
| H311 | Toksik kontak sareng kulit | Ahli terarah |
| H301 + H311 + H331 | Toksik upami ditelan, hubungan sareng kulit atanapi diulas | Ahli terarah |
| H301 | Toksik upami ditelek | Ahli terarah |
