C17h17n5o5 Adénsine, n-Buzoyl- (7CI, 9Ci, ACI) H33, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H30, H302, H30, H302
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 371.35 | - |
Titik lebur (ékspérimén) | 152 ° C | - |
Kapadetan (diprediksi) | 1.70 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
Pair (diprediksi) | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C |
Kanonical @ = C (NC1 = nc = Nc2 = C1n = C1N = CN2C3OC (CO) C (C3O) CC = CC4) CC = CC4) CC = CC4
ISOMICY O [C @ H] 1 [C @ H] (N2C = 3C (n = C2) (
Atchi
Inchi = 1s / C17H17n5o5 / C23-6-10-12 (24) 13) 1) 17 (27-10 23-25H, 6h2, (H, 18,19,21,26) / T10-, 12-, 13- 17- 17- 17-7-7- 1 17-7- 17-7- 17-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7- 17-7-7-7-7-7-7-7-7-7-7-7-7-7- 17- / M1
Konci inci
Nzdwtkfdha-cnemsgbdsja-n
3 ngaran séjén pikeun zat ieu
Benzamide, n- (9-β-irung-D-Rabo-9h-a 6-yl) - (8CI); N-bitzoyladosesine (ACI); N6-benzoyladenosin
Sipat sayogi |
Theresalia |
Theresalia
Harta | Nilai | Kaayaan | Sumber |
Titik lebur | 152 ° C | (1) ic |
(1) Gopalakrishnan, Veyhya; Aksi - Akademi India India, Élmu Kimia, (1989), 101 (5), 401-13, Caplus
Spéktra sayogi
1h nmr
13c nmr
Hetero nmr
IR
Sipat sayogi |
Biologis |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1,83 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2.56 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2.67 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2.68 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2.65 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 2.37 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.16 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.0 | 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 | 12.6 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 48.2 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 67.3 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 70.1 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 70.3 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 69.5 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 62.2 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 30,5 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 5.54 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 1.22 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 0,12 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 0,70 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 0,85 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 0,86 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 0,87 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 0,86 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 0,81 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 0,50 | pH 8; Temp: 25 ° C | (1) ACD |
log As | -0.24 | pH 9; Temp: 25 ° C | (1) ACD |
log As | -0.89 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 0,037 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 0.22 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,056 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,041 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,041 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,037 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,041 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,045 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,089 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,48 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.2 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Sahubat massa | 0,041 g / l | Cai henteu kéngingkeun pH 5.93; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1.0 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.8 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.0 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.4 x 10-4 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,3 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 6,0 x 10-3 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-4 mol / l | Cai henteu kéngingkeun pH 5.93; Temp: 25 ° C | (1) ACD |
Beurat molekular | 371.35 | ||
Pka | 7,87 ± 0,43 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 1.39 ± 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 | 1.70 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 217.3 ± 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 | 6 | (1) ACD | |
H panarima | 10 | (1) ACD | |
H donor | 4 | (1) ACD | |
H donor / panarima | 14 | (1) ACD | |
logp | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 371.35 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Daérah permukaan polar | 143 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
Kode | Pernyataan Bahaya | Sumber |
H333 | Tiasa ngabahayakeun upami dihirup | Ahli terarah |
H303 | Tiasa ngabahayakeun upami ditelek | Ahli terarah |
H302 | Ngabahayakeun upami ditelek | Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting |
Daptar pangaturan: ngahontal, TCSI
Inpormasi bisnis rahasia: umum
Sinonim | ||
Adenosin, n-bitzoyl- | Ngahontal, TCSI | - |
N- {[[((2r, 3r, 4R, 5R) -3,4-Dihydroxy-5- (Hydroxymethf)-arus | Ngahontal | - |
N6-benzoyladenosin | Ngahontal | - |
Rincian ku nagara / Internasional & Street Nagara / Inpormasi
Ringkesan Uni Éropa
Status inventory pikeun ngahontal daptar zat anu kadaptar
https://erecha.Europa.eu/substance-information/-/substanco/100.132
Daptar pangaturan EC moal .: 610-251-3
Ringkesan Taiwan
Status inventory dina pamaréntah TCSI Taiwan Ga