ChemSpider 2D Image | (4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone | C7H12O7

(4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID24534209
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(4S,5R)-3,4-Dihydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]dihydrofuran-2(3H)-one (non-preferred name)
Glucoheptonic acid-1,4-lactone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 557.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 232.2±18.1 °C
Index of Refraction: 1.645
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 119.7±3.0 dyne/cm
Molar Volume: 115.2±3.0 cm3

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