ChemSpider 2D Image | phosphoaminophosphonic acid-adenylate ester | C10H17N6O12P3

phosphoaminophosphonic acid-adenylate ester

  • Molecular FormulaC10H17N6O12P3
  • Average mass506.196 Da
  • Monoisotopic mass506.011719 Da
  • ChemSpider ID26326149

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-α-L-arabinofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-α-L-arabinofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)-α-L-arabinofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
phosphoaminophosphonic acid-adenylate ester
({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid
({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)aminophosphonic acid
9-{5-O-[(R)-Hydroxy{[(R)- Hydroxy(Phosphonoamino)phosphoryl]oxy}phosphoryl]-α-L-Arabinofuranosyl}-9h-Purin-6-Amine
A0P
ANP

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

Density: 2.7±0.1 g/cm3
Boiling Point: 965.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 537.7±37.1 °C
Index of Refraction: 1.941
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -11.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 205.5±7.0 dyne/cm
Molar Volume: 190.6±7.0 cm3

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