ChemSpider 2D Image | N-Cyclopentyladenosine 5'-(dihydrogen phosphate) | C15H22N5O7P

N-Cyclopentyladenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC15H22N5O7P
  • Average mass415.338 Da
  • Monoisotopic mass415.125671 Da
  • ChemSpider ID26628807
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-cyclopentyl-, 5'-(dihydrogen phosphate) [ACD/Index Name]
N-Cyclopentyladenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
N-Cyclopentyladenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
N-Cyclopentyladénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
((2R,3S,4R,5R)-5-(6-(Cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
117778-38-8 [RN]
6C6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 785.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.0±35.7 °C
Index of Refraction: 1.825
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 102.6±7.0 dyne/cm
Molar Volume: 209.4±7.0 cm3

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