ChemSpider 2D Image | (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hydrogen sulfate | C16H14O9S

(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hydrogen sulfate

  • Molecular FormulaC16H14O9S
  • Average mass382.342 Da
  • Monoisotopic mass382.035858 Da
  • ChemSpider ID58782096

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hydrogen sulfate [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-ylhydrogensulfat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-, (2S)- [ACD/Index Name]
675139-61-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 234.9±3.0 cm3

Click to predict properties on the Chemicalize site


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