C50H58N7O9P adenosine, N-benzoyl-5 '-O- [BIS (4-Mantexyhyl] -, 3' - [2-Cyanoethyl N, N-BIS (1-Metholyl) (ACI)
Nomer Registri CAS
251647-53-7
H302
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 932.01 | - |
Pka (diprediksi) | 7.87 ± 0.43 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (oc (oc = nc = nc = 3c (= nc = nc) nc3 c7 (oc = c7 = c6 = c6) c7 = c6 = c6 = c6 = c6 = c6 = c6 = c6 = c6 = c6) C = c7) n (c (c) c) c (c) c
Mesem isomerat
C (OC [C @@@ H] 1 [C @@ H] (n (c) C4) (OCCOCT (= O) C4 = CC = C4 = C4) = Cc = c (oc) c = c5) (c6 = c6 = c4 = c = c6) c7 = c6 = c- = cc = c7
INCI
Kopi = 1s / c50h58n7o9p / c1-34 (2) 57 (35 (3448) 66-51) 667-19-23-40 (60-6) 24-20-6) 24--20-3) 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-59-59-59-59-59-59-59-59-5-5-5-54-467 (43) 55-48-1-16-3,1-16-3,6-16-3 32-35,42,442,442,442,442,49h, 14,28-31h2,1-7h3, (H, 52,56,55,58) / t42-, 44-, 49-, 67? / M1 / s1
Kunci inci
Vpbybqbhlyrlhg-hdmawcrfsa-n
16 Jeneng liya kanggo zat iki
Adenosine,N-Benzoyl-5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O- (2-METEXYETHYL) -, 3 '- [2-Cyanoethyl BIS (1-Methylethyl)
Phosphoramidite] (9CI); 16: PN: US20030211606 Kaca: 19 Urutan miturut urutan; 16: PN: US20030212017 Kaca: 20 urutan sing ngaku; 17: PN: US200400055569 Kaca: 22 Ukuran urutan; 19: PN: US20040006030 Halaman: 23 urutan ngaku; 19: PN: US20040014047
Kaca: 21 Urutan miturut urutan; 19: PN: US200400149 Kaca: 21 Urutan urutan; 20: PN: US20040005570 kaca: 20 dituntut
urutan; 20: PN: US200400140848 Kaca: 21 Urutan urutan; 20: PN: US20040014050 kaca: 20 urutan sing ngaku; 21: PN: U
S200400055565 Halaman: 17- 22 ngaku urutan; 21: PN: US200400151 Kaca: 23 urutan ngaku; 22: PN: US20040014699 Kaca: 20 urutan sing ngaku; 23: PN: US20040006029 Kaca: 23 urutan ngaku; 23: PN: WOX3106645 Halaman: 73 urutan; 94: P N: US20040005707 Halaman: 20 Urutan Nyariosaken
Spektrum kasedhiya
1 h nmr
13 c nmr
Hetero nmr
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 2680 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 71500 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 7,21 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 8.48 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.39 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 40300 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Koc | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 36300 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.66 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 1.42 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.42 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.17 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 4.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 70800 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 20500 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 5.77 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7,20 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 8,20 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 8.69 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 8.79 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 8.79 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 8.71 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 8.27 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.49 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 6.95 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,051 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.9 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.9 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6.0 x 10-5 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.8 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.8 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.8 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 9.3 X 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 3.6 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.7 x 10-5 g / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 5.8 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.0 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 2.0 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.4 x 10-8 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.1 x 10-8 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.1 x 10-8 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.2 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.0 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.9 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.1 x 10-8 mol / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 932.01 | ||
PKA | 7.87 ± 0.43 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 3.45 ± 070 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 22 | (1) ACD | |
H Nampa | 16 | (1) ACD | |
H donor | 1 | (1) ACD | |
H Donor / Sumrah Panampa | 17 | (1) ACD | |
logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 932.01 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 187 a2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1 h nmr
13 c nmr
Sumber Statement Code Hazard | |
H302 mbebayani yen ditelan | Badan Kimia Eropa (Procha) Klasifikasi & Labeling Inventori - Klasifikasi Dalan lan Label - Kabar Umum Umum, Badan Kimia Eropa (ECHA) Klasifikasi & Label Inventorial Inventori - Klasifikasi Dalan lan Label - Kabar Paling Seri serius |