ChemSpider 2D Image | 9-{5-O-[{[5-(1,2-Dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine | C18H26N5O8PS2

9-{5-O-[{[5-(1,2-Dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC18H26N5O8PS2
  • Average mass535.531 Da
  • Monoisotopic mass535.096069 Da
  • ChemSpider ID570867

More details:

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

9-{5-O-[{[5-(1,2-Dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[{[5-(1,2-Dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[{[5-(1,2-Dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[5-(1,2-dithiolan-3-yl)-1-oxopentyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
lipoyl-AMP

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

Density: 1.9±0.1 g/cm3
Boiling Point: 825.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.0±37.1 °C
Index of Refraction: 1.795
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 94.2±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

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