ChemSpider 2D Image | 2-Formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl valerate | C12H18O6

2-Formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl valerate

  • Molecular FormulaC12H18O6
  • Average mass258.268 Da
  • Monoisotopic mass258.110352 Da
  • ChemSpider ID21203252

More details:

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

2-Formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl valerate [ACD/IUPAC Name]
2-Formyl-4,5,6-trihydroxy-2-cyclohexen-1-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-formyl-4,5,6-trihydroxy-2-cyclohexen-1-yl ester [ACD/Index Name]
Valérate de 2-formyl-4,5,6-trihydroxy-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
11056-09-0 [RN]
1168139-98-7 [RN]
RANCINAMYCIN IIA
RANIMYCIN
UNII-2Z667N02HQ
UNII-67WQ9O91IO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 394.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 146.6±21.4 °C
Index of Refraction: 1.542
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.93
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.93
Polar Surface Area: 104 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 196.8±5.0 cm3

Click to predict properties on the Chemicalize site


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