C47H60N7O10P Guanosine, 5 '-o- [BIS (4-ManteXypyl) -NO- (2-METYOHPROPYL N, N-BIS (1-Methylethyl) (ACI)
Nomer Registri CAS
251647-55-9
H302
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 914.00 | - |
Pka (diprediksi) | 9.16 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (oc (oc = nc = 3c (= o) n = c (oc) c5 (oc) c6occcoc) c5 c6
Mesem isomerat
C (oc [c @@@ h] 1 [c @_ h] (n (c) c) c (= o) n = c (c) n = c (c) n3) (c4 = cc) (c4 = c4 = cc (OC) C = C4) (C5 = CC = C (OC) C = C5) C5 = c5 = cc = cc = c6
INCI
Kopi = 1s / c47h60n7o10p / c1-30 (2) 43-46-50-39 (44) 49-26) 49-21 (62-65 (62-65-13-248) 54-68) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-15-3-10-13 (58-2) 21-17-22-37 (59-5) 23-19-35 / H10-12,1438 , 40-41,45H, 13,25-28h2,1-9H3, (H2,0,50,51,2,55,56,56,56) / t38-, 40-, 41-, 45-, 65? / M1 / s1
Kunci inci
Ladcdgnebiqaau-sbcraqivsa-n
17 Jeneng liya kanggo zat iki
Guanosine, 5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O- (2-METEXYETHYL) -N- (2-metil-1-oxopropyl) -, 3 '- [2-Cyanoethyl BIS (1- Methylethyl) (9CI); 17: PN: US20030212017 Kaca: 20 urutan sing ngaku; 18: PN: US2003021111606 Kaca: 20
Urutan urutan; 19: PN: US200400055569 Kaca: 22 Ukuran urutan; 21: PN: US20040006030 Halaman: 23 urutan ngaku; 21: PN: US20040014047 Halaman: 21 Ukuran urutan; 21: PN: US200400149 Kaca: 21 Ukuran urutan; 22: PN: US20030198965 Pag
E: 20 urutan sing ngaku; 22: PN: US20040005570 kaca: 21 nyatakake urutan; 22: PN: US20040014048 Kaca: 21 Urutan urutan;
22: PN: US200400140 Halaman: 21 Urutan urutan; 23: PN: US200400055565 Halaman: 17- 22 ngaku urutan; 23: PN: US20040
014051 Kaca: 23 urutan sing ngaku; 24: PN: US20040014699 Kaca: 21 nyatakake urutan; 25: PN: US20040006029 Kaca: 23 urutan nyatakake; 25: PN: WOX3106645 Halaman: 73 urutan; 96: PN: US20040005707 Halaman: 21 Ukuran urutan
Spektrum kasedhiya
13 c nmr
Hetero nmr
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 121 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 2580 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 23500 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 71800 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 89800 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 92100 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 91300 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 82500 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 42200 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 7860 | 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 | 164 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 3480 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 31700 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 96900 | pH 4; Temp: 25 ° C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Koc | 1.24 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Koc | 1.11 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 56900 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 10600 | PH 10; Temp: 25 ° C | (1) ACD |
logd | 3.95 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 5.28 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 6.24 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 6.73 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 6.82 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 6.83 | pH 6; Temp: 25 ° C | (1) ACD |
logd | 6.83 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 6.79 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 6,50 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 5.77 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 4.4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.34 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,016 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.7 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.7 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.6 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.4 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.5 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.9 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.0 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.2 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.5 x 10-4 g / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 4.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.7 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.9 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 6.2 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.0 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.8 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.4 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 5.7 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.9 x 10-7 mol / l | Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 914.00 | ||
PKA | 9.16 ± 0,20 | 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 | 17 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Sumrah Panampa | 19 | (1) ACD | |
logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 914.00 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Properti | Regane | Sumber kahanan |
Area permukaan polar | 203 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 |