![C41H51N5O8SI guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl)-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8SI guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1- dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl)-(9ci, ACI) na nagtatampok ng imahe](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8SI guanosine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl)-(9ci, aci)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 769.96 | - |
| Density (hinulaang) | 1.25 ± 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)C3O[Si](C)(C)C(C)(C)C
Ngumiti si Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (o [Si] (c (c) (c) c) (c) c) [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 = CC = CC = C6
Inchi
Inchi = 1S/C41H51N5O8SI/C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47H, 23H2,1-9H3, (H2,43,44,45,
48,49)/t31-, 33-, 34-, 38-/m1/s1
Inchi key
Jmcnkjfoijgyrg-cjegosrcsa-n
1 iba pang pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) guanosine (ACI)
Magagamit ang spectra
1h nmr
13c nmr
Mass
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 1.38 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3.53 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 4.18 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 4.26 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 4.26 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 4.26 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 4.21 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3.77 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.86 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 33800 | 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 | 1.21 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 3.08 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 3.65 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 3.72 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 3.73 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 3.72 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 3.68 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 3.30 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1.62 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 29600 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 7.22 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.63 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.71 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.70 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.66 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.35 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.61 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 7.710 ± 0.709 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 2.7 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.3 x 10-5 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.8 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.7 x 10-5 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.7 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.7 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.8 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.2 x 10-5 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.8 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 3.5 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.3 x 10-8 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.6 x 10-8 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.5 x 10-8 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.5 x 10-8 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 3.5 x 10-8 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.6 x 10-8 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.0 x 10-8 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.1 x 10-8 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.5 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.6 x 10-8 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 769.96 | ||
| 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 | 1.25 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 615.5 ± 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 | 14 | (1) ACD | |
| H Mga Tanggap | 13 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| Logp | 7.710 ± 0.709 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 769.96 |
(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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![C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9c i, ACI)](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine-300x300.jpg)
![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)