ChemSpider 2D Image | (2R)-N6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate | C19H22N5O6P

(2R)-N6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate

  • Molecular FormulaC19H22N5O6P
  • Average mass447.382 Da
  • Monoisotopic mass447.130768 Da
  • ChemSpider ID25058214
  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-N6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
(4aS,6R,7R,7aR) 2-Oxyde de 6-(6-{[(2R)-1-phényl-2-propanyl]amino}-9H-purin-9-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(4aS,6R,7R,7aR)-6-(6-{[(2R)-1-Phenyl-2-propanyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-oxid [German] [ACD/IUPAC Name]
(4aS,6R,7R,7aR)-6-(6-{[(2R)-1-Phenyl-2-propanyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, tetrahydro-2-hydroxy-6-[6-[[(1R)-1-methyl-2-phenylethyl]amino]-9H-purin-9-yl]-, 2-oxide, (4aS,6R,7R,7aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 743.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.4±35.7 °C
Index of Refraction: 1.775
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
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: 151 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 80.1±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

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