ChemSpider 2D Image | aspartyl-adenosine-5'-monophosphate | C14H19N6O10P

aspartyl-adenosine-5'-monophosphate

  • Molecular FormulaC14H19N6O10P
  • Average mass462.309 Da
  • Monoisotopic mass462.090027 Da
  • ChemSpider ID26329595

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

9-{5-O-[(R)-{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[(R)-{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[(R)-{[(2S)-2-Amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-α-L-arabinofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(R)-[(2S)-2-amino-3-carboxy-1-oxopropoxy]hydroxyphosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
aspartyl-adenosine-5'-monophosphate
(3S)-3-amino-4-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-oxobutanoic acid
(3S)-3-amino-4-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-oxobutanoic acid

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

Density: 2.2±0.1 g/cm3
Boiling Point: 856.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.5±37.1 °C
Index of Refraction: 1.835
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 125.1±7.0 dyne/cm
Molar Volume: 211.6±7.0 cm3

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