ChemSpider 2D Image | (2S)-[(2S,3S,4S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetic acid | C6H8O7

(2S)-[(2S,3S,4S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetic acid

  • Molecular FormulaC6H8O7
  • Average mass192.124 Da
  • Monoisotopic mass192.027008 Da
  • ChemSpider ID23977451
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(2S)-[(2S,3S,4S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetic acid [ACD/IUPAC Name]
(2S)-[(2S,3S,4S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-[(2S,3S,4S)-3,4-dihydroxy-5-oxotétrahydro-2-furanyl](hydroxy)acétique [French] [ACD/IUPAC Name]
80876-59-1 [RN]
L-Idaric-1,4-lactone
PUBCHEM_46781935

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

Density: 2.0±0.1 g/cm3
Boiling Point: 537.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 230.1±16.1 °C
Index of Refraction: 1.649
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 130.7±3.0 dyne/cm
Molar Volume: 98.0±3.0 cm3

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