ChemSpider 2D Image | 2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[2-(5-methyl-2-furyl)-1-nitro-4-oxopentyl]hexitol | C24H31NO13

2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[2-(5-methyl-2-furyl)-1-nitro-4-oxopentyl]hexitol

  • Molecular FormulaC24H31NO13
  • Average mass541.502 Da
  • Monoisotopic mass541.179565 Da
  • ChemSpider ID4417454

More details:

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

2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[2-(5-methyl-2-furyl)-1-nitro-4-oxopentyl]hexitol [ACD/IUPAC Name]
2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[2-(5-methyl-2-furyl)-1-nitro-4-oxopentyl]hexitol [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[2-(5-méthyl-2-furyl)-1-nitro-4-oxopentyl]hexitol [French] [ACD/IUPAC Name]
2-Undeculose, 6,10-anhydro-1,3,4,5-tetradeoxy-4-(5-methyl-2-furanyl)-5-nitro-, 7,8,9,11-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 44.96
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 190 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 409.6±5.0 cm3

Click to predict properties on the Chemicalize site


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