ChemSpider 2D Image | (3aS,4R,10S,10aS)-4-[(Carbamoyloxy)methyl]-10-hydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-diiminium | C10H19N7O3

(3aS,4R,10S,10aS)-4-[(Carbamoyloxy)methyl]-10-hydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-diiminium

  • Molecular FormulaC10H19N7O3
  • Average mass285.302 Da
  • Monoisotopic mass285.153839 Da
  • ChemSpider ID77410331

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4R,10S,10aS)-4-[(Carbamoyloxy)methyl]-10-hydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purin-2,6-diiminium [German] [ACD/IUPAC Name]
(3aS,4R,10S,10aS)-4-[(Carbamoyloxy)methyl]-10-hydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-diiminium [ACD/IUPAC Name]
(3aS,4R,10S,10aS)-4-[(Carbamoyloxy)méthyl]-10-hydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-diiminium [French] [ACD/IUPAC Name]
1H,8H-Pyrrolo[1,2-c]purine-4-methanol, octahydro-10-hydroxy-2,6-diimino-, α-carbamate, conjugate diacid, (3aS,4R,10S,10aS)- [ACD/Index Name]

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

Density:
Boiling Point: 525.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.6±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -5.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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