ChemSpider 2D Image | (4R,6R,6aS)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide | C10H12N5O6P

(4R,6R,6aS)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide

  • Molecular FormulaC10H12N5O6P
  • Average mass329.206 Da
  • Monoisotopic mass329.052521 Da
  • ChemSpider ID71116312

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,6R,6aS) 2-Oxyde de 4-(6-amino-9H-purin-9-yl)-6-(hydroxyméthyl)tétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol [French] [ACD/IUPAC Name]
(4R,6R,6aS)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide [ACD/IUPAC Name]
(4R,6R,6aS)-4-(6-Amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol-2-oxid [German] [ACD/IUPAC Name]
Furo[3,4-d]-1,3,2-dioxaphosphole-4-methanol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (3aS,4R,6R)- [ACD/Index Name]
634-01-5 [RN]
Adenosine 2',3'-cyclic monophosphate triethylammonium salt

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 688.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.0±34.3 °C
Index of Refraction: 2.012
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 165 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 153.8±7.0 dyne/cm
Molar Volume: 133.1±7.0 cm3

Click to predict properties on the Chemicalize site


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