ChemSpider 2D Image | (3aR,7aR)-Tetrahydro[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione | C4H6N4O3

(3aR,7aR)-Tetrahydro[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione

  • Molecular FormulaC4H6N4O3
  • Average mass158.115 Da
  • Monoisotopic mass158.043991 Da
  • ChemSpider ID62479582

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aR)-Tetrahydro[1,2,5]oxadiazolo[3,4-b]pyrazin-5,6(1H,3H)-dion [German] [ACD/IUPAC Name]
(3aR,7aR)-Tetrahydro[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione [ACD/IUPAC Name]
(3aR,7aR)-Tétrahydro[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione [French] [ACD/IUPAC Name]
[1,2,5]Oxadiazolo[3,4-b]pyrazine-5,6(1H,3H)-dione, tetrahydro-, (3aR,7aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.495
Molar Refractivity: 31.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 91 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 108.9±3.0 cm3

Click to predict properties on the Chemicalize site


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