ChemSpider 2D Image | 2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate | C10H12N5O7P

2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate

  • Molecular FormulaC10H12N5O7P
  • Average mass345.205 Da
  • Monoisotopic mass345.047424 Da
  • ChemSpider ID64882394

More details:

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

2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate [ACD/IUPAC Name]
2-[1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyldihydrogenphosphat [German] [ACD/IUPAC Name]
9H-Purine-9-acetaldehyde, 6-amino-α-[1-formyl-2-(phosphonooxy)ethoxy]- [ACD/Index Name]
Dihydrogénophosphate de 2-[1-(6-amino-9H-purin-9-yl)-2-oxoéthoxy]-3-oxopropyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 654.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.6±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 72.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 105.0±7.0 dyne/cm
Molar Volume: 178.2±7.0 cm3

Click to predict properties on the Chemicalize site


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