C11H16N6O4 Adenosinum, 2-amino-2′-O-methyl- (9Cl, ACI)
Numerus Registri CAS
80791-87-3
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 296.28 | - |
| Punctum Liquefactionis (Experimentale) | 121-122°C | Solvens: Methanolum |
| Punctum Ebullitionis (Praedictum) | 733.2±70.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.98±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 13.12±0.70 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
OCC1OC(N2C= NC=3C(=NC(=NC32)N)N)C(OC)C1O
Subrisus Isomerici
O(C)[C@H]¹[C@H](N²C=³C(N=C²)=C(N)N=C(N)N³)O[C@H](CO)[C@H]¹O
InChI
InChI= 1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)
Clavis InChI
JLWUWXCKSOIFPS-KQYNXXCUSA-N
Duo Alia Nomina Huius Substantiae
2-Amino-2′-OMethyladenosinum (ACI); 2′ -OMethyl-2,6-diaminopurini ribosidum
Proprietates praesto
Thermalis
| Possessio | Valor | Conditio | Fons |
| Punctum Liquefactionis | 121-122°C | Solvens: Methanolum | (1) CAS |
(1) Kore, Anilkumar R.; Nucleosida, Nucleotida et Acida Nucleica, (2006), 25(3), 307-314, CAplus.
Spectra praesto sunt
UV et Visibilis
Proprietates praesto
Biologicus
Chemica
Densitas
Lipinski
Structurae Relata
Thermalis
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Fons Conditionis Valoris Proprietatis |
| Koc 1.0 pH 1; Temperatura: 25°C (1) ACD |
| Koc 1.0 pH 2; Temperatura: 25°C (1) ACD |
| Koc 1.0 pH 3; Temperatura: 25°C (1) ACD |
| Koc 1.21 pH 4; Temperatura: 25°C (1) ACD |
| Koc 6.90 pH 5; Temperatura: 25°C (1) ACD |
| Koc 13.5 pH 6; Temperatura: 25°C (1) ACD |
| Koc 14.9 pH 7; Temperatura: 25°C (1) ACD |
| Koc 15.1 pH 8; Temperatura: 25°C (1) ACD |
| Koc 15.1 pH 9; Temperatura: 25°C (1) ACD |
| Koc 15.1 pH 10; Temperatura: 25°C (1) ACD |
| logD -2.85 pH 1; Temperatura: 25°C (1) ACD |
| logD -2.76 pH 2; Temperatura: 25°C (1) ACD |
| logD -2.31 pH 3; Temperatura: 25°C (1) ACD |
| logD -1.46 pH 4; Temperatura: 25°C (1) ACD |
| logD -0.70 pH 5; Temperatura: 25°C (1) ACD |
| logD -0.41 pH 6; Temperatura: 25°C (1) ACD |
| logD -0.37 pH 7; Temperatura: 25°C (1) ACD |
| logD -0.36 pH 8; Temperatura: 25°C (1) ACD |
| logD -0.36 pH 9; Temperatura: 25°C (1) ACD |
| logD -0.36 pH 10; Temperatura: 25°C (1) ACD |
| logP -0.363±0.611 Temperatura: 25°C (1) ACD |
| Solubilitas Intrinseca Massae 1.6 g/L Temperatura: 25 °C (1) ACD |
| Solubilitas Massae 504 g/L pH 1; Temperatura: 25 °C (1) ACD |
| Solubilitas Massae 409 g/L pH 2; Temperatura: 25 °C (1) ACD |
| Solubilitas Massae 140 g/L pH 3; Temperatura: 25 °C (1) ACD |
| Solubilitas Massae 20 g/L pH 4; Temperatura: 25 °C (1) ACD |
| Solubilitas Massae 3.6 g/L pH 5; Temperatura: 25°C (1) ACD |
| Solubilitas Massae 1.8 g/L pH 6; Temperatura: 25°C (1) ACD |
| Solubilitas Massae 1.7 g/L pH 7; Temperatura: 25°C (1) ACD |
| Solubilitas Massae 1.6 g/L pH 8; Temperatura: 25°C (1) ACD |
| Solubilitas Massae 1.6 g/L pH 9; Temperatura: 25°C (1) ACD |
| Solubilitas Massae 1.6 g/L pH 10; Temperatura: 25°C (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Densitas | 1.98±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 149.3±7.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 5 | (1) ACD | |
| Acceptores H | 10 | (1) ACD | |
| Donatores H | 6 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 16 | (1) ACD | |
| logP | -0.363±0.611 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 296.28 |
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