![C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- n- (2-methyl-1-oxopropyl)-(9ci, aci)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-metil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 669.72 | - |
| Ketumpatan (diramalkan) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 9.16 ± 0.20 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = C5 = C5 = C (OC)
Tersenyum isomerik
C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C3 = C (N = C2) C (= O) N = C (NC (C) C) = O) N3)
= Cc = c6
Inchi
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) (40-13-23) 24-13-17-26 (46-4) 18-14-2043, 19H2.3430, 14H2.
-/m1/s1
Kunci Inchi
Isqljogrnuqhjx-wifiacmtsa-n
1 nama lain untuk bahan ini
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl) guanosine (ACI)
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
Biologi
| Harta | Nilai | Keadaan | 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) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | 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 |
| Harta | Nilai | Keadaan | 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 Massa | 9.4 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.5 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 7.4 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.1 x 10-4 g/l | Air yang tidak disengajakan pH 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 |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan molar | 4.6 x 10-7 mol/l | Air yang tidak disengajakan pH 6.99; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 669.72 | ||
| PKA | 9.16 ± 0.20 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 1.73 ± 0.10 | Tempatan paling asas: 25 ° C | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 494.4 ± 7.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 12 | (1) ACD | |
| H penerima | 13 | (1) ACD | |
| H penderma | 3 | (1) ACD | |
| H penderma/penerima jumlah | 16 | (1) ACD | |
| logp | 4.763 ± 0.722 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 669.72 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 155 a2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
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![C38H49NO7 1- Pyrrolidinedodecanoic Acid, 2- [[BIS (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S, 4R)-(ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H28N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) methyl] (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)