Found 35 results

Search term: MF = 'C_{9}H_{12}O_{7}'
ChemSpider 2D Image | [(2R,3S,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]methyl 3-oxobutanoate | C9H12O7

[(2R,3S,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]methyl 3-oxobutanoate

  • Molecular FormulaC9H12O7
  • Average mass232.187 Da
  • Monoisotopic mass232.058304 Da
  • ChemSpider ID24656484

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2R,3S,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]methyl 3-oxobutanoate [ACD/IUPAC Name]
[(2R,3S,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]methyl-3-oxobutanoat [German] [ACD/IUPAC Name]
3-Oxobutanoate de [(2R,3S,4R)-3,4-dihydroxy-5-oxotétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
89747-21-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 389.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 154.6±21.4 °C
Index of Refraction: 1.525
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.09
Polar Surface Area: 110 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

Click to predict properties on the Chemicalize site


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