C15H21N5O6 guanosin, 2′-O-methyl-N- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 367.36 | - |
| Densitet (forudsagt) | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 9,16 ± 0,20 | Mest sure temp: 25 ° C |
Kanoniske smil O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Isomere smil O (c) [c@h] 1 [c@h] (n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) o [c@h] (co) [c@h] 1o
Inchi
Inchi = 1S/C15H21N5O6/C1-6 (2) 12 (23) 18-15-17-11-8 (13 (24) 19-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-21) 26-14/H5-7,9-10,14,21- 22H, 4H2,1-3H3, (H2,17,18,19,23,24)/T7-, 9-, 10-, 14-/m1/s1
Inchi Key
Rpulcyxeyodqog-Akaijsegsa-n
2 andre navne på dette stof
2′-O-Methyl-N-(2-methyl-1-oxopropyl) guanosin (ACI);N2-isobutyryl-2′-O-Methylguanosin
Spektre tilgængelige
1H NMR
13c NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 2.12 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 8.67 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 12.6 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 13.3 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 13.2 | pH 7; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Koc | 12.5 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 7.85 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1,76 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -1.26 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0,65 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0,49 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0,47 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0,46 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0,46 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0,47 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0,49 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0,69 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.34 | pH 10; Temp: 25 ° C. | (1) ACD |
| Logp | -0,464 ± 0,636 | Temp: 25 ° C. | (1) ACD |
| Masse iboende opløselighed | 0,55 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,84 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,59 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,55 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,55 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,55 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,55 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,59 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,96 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 4,4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 0,55 g/l | Ubuffet vand pH 6,00; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 1,5 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 9,6 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,3 x 10-3 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,6 x 10-3 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,5 x 10-3 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,5 x 10-3 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 1,5 x 10-3 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,5 x 10-3 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,6 x 10-3 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 2,6 x 10-3 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 0,012 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 1,5 x 10-3 mol/l | Ubuffet vand pH 6,00; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 367.36 | ||
| PKA | 9,16 ± 0,20 | Mest sure temp: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Mest basale temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 217,6 ± 7,0 cm3/mol | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 6 | (1) ACD | |
| H acceptorer | 11 | (1) ACD | |
| H donorer | 4 | (1) ACD | |
| H donor/acceptor sum | 15 | (1) ACD | |
| Logp | -0,464 ± 0,636 | Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 367.36 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 147 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
Spektre tilgængelige
13c NMR
![C38H49NO7 1- Pyrrolidinedodecansyre, 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)
![C39H37N5O7 adenosin, N-benzoyl-5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)-(9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C44H53FN7O8 guanosin, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluor-N- (2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) phosphoritite] (Aci)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C36H39N5O8 guanosin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O-methyl-N- (2-methyl-1-oxopropyl)-(9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C34H39N3O8 Cytidin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox yethyl) -5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)