ChemSpider 2D Image | epiprogoitrin | C11H19NO10S2

epiprogoitrin

  • Molecular FormulaC11H19NO10S2
  • Average mass389.399 Da
  • Monoisotopic mass389.045044 Da
  • ChemSpider ID31150830
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

19237-18-4 [RN]
1-S-[(3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
epiprogoitrin
(2S)-2-hydroxy-3-butenyl glucosinolate
(S)-2-hydroxy-but-3-enyl-glucosinolate
epi-progoitrin
  • Miscellaneous

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -4.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 216.5±7.0 cm3

Click to predict properties on the Chemicalize site






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