![C36H39N5O8 guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- 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-methyl- n- (2-methyl-1-oxopropyl)-(9ci, ACI) na nagtatampok ng imahe](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- n- (2-methyl-1-oxopropyl)-(9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 669.72 | - |
| Density (hinulaang) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles 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
Ngumiti si Isomeric
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 = c4) (c5 = cc = c (oc) c = c5) c6 = c
= 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) 29 (42) 27 (49-34) 19-48-36 (22-9-7-6-8-10-2 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)/T27-, 29-, 30-, 34
-/m1/s1
Inchi key
IsQljogrnuqhjx-wifiacmtsa-n
1 iba pang pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl-n- (2-methyl-1-oxopropyl) guanosine (ACI)
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 797 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2030 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2400 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2450 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2450 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2450 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2420 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2170 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1070 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 195 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 |
| Mass intrinsic solubility | 3.1 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.4 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 7.4 x 10-4 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.9 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 4.6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.5 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.7 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.6 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.6 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.6 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.6 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.2 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-6 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 4.6 x 10-7 mol/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 669.72 | ||
| PKA | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 1.73 ± 0.10 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Density
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 494.4 ± 7.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 12 | (1) ACD | |
| H Mga Tanggap | 13 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| Logp | 4.763 ± 0.722 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 669.72 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 155 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
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