![C36H39N5O8 guanosine, fenilmetil 5′-o- [BIS (4-methoxyphenyl)] -2′-o-metil-N- (2-metil-1-oxopropyl)-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 guanosine, fenilmetil 5′-o- [BIS (4-methoxyphenyl)] -2′-o-methyl- N- (2-metil-1-oxopropyl)-(9ci, ACI) Fitur gambar](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 guanosine, fenilmetil 5′-o- [BIS (4-methoxyphenyl)] -2′-o-metil-N- (2-metil-1-oxopropyl)-(9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 669.72 | - |
| Kepadatan (diprediksi) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OC
Senyum isomer
C (OC [C@H] 1O [c@h] ([c@h] (oc) [c @@ h] 1o) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = c = C4) (c5 = cc = c4 = cc = c = c
= CC = C6
Inci
Inchi = 1S/C36H39N5O8/C1-21 (2) 32 (43) 39-35-38-31-28 (33 (44) 40-35) 37-20-41 (31) 34-30 (47-5) 29 (42) 27 (49-34) 19-48-48-4 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42H, 19H2,1-5H3, (H2,38,39,40,43,44), 2H3), (H2,387,39,40,40,44), 2H3), (H2,39,39,40,40,44), 2H2), (H2,39-39,40,40,40,40,40,40,40,40,40
-/M1/S1
Kunci Inchi
Isqljogrnuqhjx-wifiacmtsA-n
1 nama lain untuk zat ini
5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-metil-N- (2-metil-1-oxopropyl) guanosin (ACI)
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 797 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2030 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2400 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2450 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2450 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2450 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2420 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2170 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1070 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 195 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 3020 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 7680 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 9100 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 9270 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 9290 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 9280 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 9170 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 8220 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 4050 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 737 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.27 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.68 | pH 2; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| logd | 4.75 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.71 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.40 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4,763 ± 0,722 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.1 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.4 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,7 x 10-4 g/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,5 x 10-4 g/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 7.4 x 10-4 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3,9 x 10-3 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.1 x 10-4 g/l | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 4,6 x 10-7 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,4 x 10-6 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5,5 x 10-7 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,7 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4,6 x 10-7 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 5.2 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 | 5,8 x 10-6 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan molar | 4,6 x 10-7 mol/L | PH AIR TERBACA 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 669.72 | ||
| PKA | 9,16 ± 0,20 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 494,4 ± 7,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 12 | (1) ACD | |
| H akseptor | 13 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H donor/jumlah akseptor | 16 | (1) ACD | |
| logp | 4,763 ± 0,722 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 669.72 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 155 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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