ChemSpider 2D Image | (2S-3S)-versiconal hemiacetal | C18H14O8

(2S-3S)-versiconal hemiacetal

  • Molecular FormulaC18H14O8
  • Average mass358.299 Da
  • Monoisotopic mass358.068878 Da
  • ChemSpider ID28639092
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-2,4,6,8-Tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dion [German] [ACD/IUPAC Name]
(2S,3S)-2,4,6,8-Tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione [ACD/IUPAC Name]
(2S,3S)-2,4,6,8-Tétrahydroxy-3-(2-hydroxyéthyl)-2,3-dihydroanthra[2,3-b]furane-5,10-dione [French] [ACD/IUPAC Name]
(2S-3S)-versiconal hemiacetal
Anthra[2,3-b]furan-5,10-dione, 2,3-dihydro-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-, (2S,3S)- [ACD/Index Name]
(2S-3S)-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
  • Miscellaneous
    • Chemical Class:

      An optically active form of versiconal hemiacetal having 2<stereo>S</stereo>,3<stereo>S</stereo>-configuration. ChEBI CHEBI:72672

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

Density: 1.7±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 247.8±25.0 °C
Index of Refraction: 1.771
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 21.47
ACD/KOC (pH 5.5): 273.77
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 145 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 103.0±3.0 dyne/cm
Molar Volume: 206.6±3.0 cm3

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