ChemSpider 2D Image | [(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | C10H17N7O5

[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

  • Molecular FormulaC10H17N7O5
  • Average mass315.286 Da
  • Monoisotopic mass315.129120 Da
  • ChemSpider ID78431225

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [ACD/IUPAC Name]
[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methylcarbamat [German] [ACD/IUPAC Name]
1H,10H-Pyrrolo[1,2-c]purine-10,10-diol, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, 5-oxide, (3aS,4R,10aS)- [ACD/Index Name]
Carbamate de [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxydo-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 752.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.6±35.7 °C
Index of Refraction: 1.972
Molar Refractivity: 66.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.89
ACD/LogD (pH 5.5): -5.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 152.0±7.0 dyne/cm
Molar Volume: 135.8±7.0 cm3

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