ChemSpider 2D Image | (2S,3S)-5,6-Dihydroxy-2,3-dimethyl-4-oxo-3,4-dihydro-2H-benzo[g]chromen-8-yl 4-O-methyl-beta-D-glucopyranoside | C22H26O10

(2S,3S)-5,6-Dihydroxy-2,3-dimethyl-4-oxo-3,4-dihydro-2H-benzo[g]chromen-8-yl 4-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC22H26O10
  • Average mass450.436 Da
  • Monoisotopic mass450.152588 Da
  • ChemSpider ID30770883
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S,3S)-5,6-Dihydroxy-2,3-dimethyl-4-oxo-3,4-dihydro-2H-benzo[g]chromen-8-yl 4-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3S)-5,6-Dihydroxy-2,3-dimethyl-4-oxo-3,4-dihydro-2H-benzo[g]chromen-8-yl-4-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-Naphtho[2,3-b]pyran-4-one, 2,3-dihydro-5,6-dihydroxy-2,3-dimethyl-8-[(4-O-methyl-β-D-glucopyranosyl)oxy]-, (2S,3S)- [ACD/Index Name]
4-O-Méthyl-β-D-glucopyranoside de (2S,3S)-5,6-dihydroxy-2,3-diméthyl-4-oxo-3,4-dihydro-2H-benzo[g]chromén-8-yle [French] [ACD/IUPAC Name]
indigotide H

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 239.0±25.0 °C
Index of Refraction: 1.678
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.37
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 292.6±5.0 cm3

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