ChemSpider 2D Image | thalassiolin B | C22H22O14S

thalassiolin B

  • Molecular FormulaC22H22O14S
  • Average mass542.467 Da
  • Monoisotopic mass542.072998 Da
  • ChemSpider ID4591526

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-Sulfo-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2-O-sulfo-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-sulfo-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-sulfo-β-D-glucopyranosid [German] [ACD/IUPAC Name]
thalassiolin B
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-

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

AIDS153891 [DBID]
AIDS-153891 [DBID]

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: 1.734
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 110.9±5.0 dyne/cm
Molar Volume: 299.7±5.0 cm3

Click to predict properties on the Chemicalize site


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