ChemSpider 2D Image | (2S,3S)-2,4,6-Trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate | C18H13O8

(2S,3S)-2,4,6-Trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate

  • Molecular FormulaC18H13O8
  • Average mass357.292 Da
  • Monoisotopic mass357.061584 Da
  • ChemSpider ID31150444

  • Charge - Charge

    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-Trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olat [German] [ACD/IUPAC Name]
(2S,3S)-2,4,6-Trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate [ACD/IUPAC Name]
(2S,3S)-2,4,6-Trihydroxy-3-(2-hydroxyéthyl)-5,10-dioxo-2,3,5,10-tétrahydroanthra[2,3-b]furan-8-olate [French] [ACD/IUPAC Name]
Anthra[2,3-b]furan-5,10-dione, 2,3-dihydro-2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-, ion(1-), (2S,3S)- [ACD/Index Name]
(2S-3S)-2,4,6-trihydroxy-3-(2-hydroxyethyl)-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-8-olate
(2S-3S)-versiconal hemiacetal
(2S-3S)-versiconal hemiacetal(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77950
      A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal. It is the major microspecies at pH 7.3 (according to Marvin v 6.2; .0.). ChEBI CHEBI:77950

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

Density:
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:
Molar Refractivity:
#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: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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