ChemSpider 2D Image | NITRODULCITOL HEXANITRATE | C6H8N6O18

NITRODULCITOL HEXANITRATE

  • Molecular FormulaC6H8N6O18
  • Average mass452.157 Da
  • Monoisotopic mass451.989502 Da
  • ChemSpider ID32698911

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2,3,4,5,6-Hexa-O-nitro-D-galactitol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Hexa-O-nitro-D-galactitol [ACD/IUPAC Name]
1,2,3,4,5,6-Hexa-O-nitro-D-galactitol [French] [ACD/IUPAC Name]
6591-58-8 [RN]
D-Galactitol, hexanitrate [ACD/Index Name]
NITRODULCITOL HEXANITRATE

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

16VOL64F22 [DBID]
UNII:16VOL64F22 [DBID]
UNII-16VOL64F22 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 232.4±32.1 °C
Index of Refraction: 1.538
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 24
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4916.42
ACD/KOC (pH 5.5): 15278.31
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4916.42
ACD/KOC (pH 7.4): 15278.31
Polar Surface Area: 330 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 243.9±3.0 cm3

Click to predict properties on the Chemicalize site


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