ChemSpider 2D Image | (2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 6-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C27H34O16

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 6-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC27H34O16
  • Average mass614.549 Da
  • Monoisotopic mass614.184692 Da
  • ChemSpider ID116439
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 6-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-6-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-β-D-glucopyranoside de (2S,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 6-O-α-D-glucopyranosyl- [ACD/Index Name]
134515-72-3 [RN]
Catechin-3-O-α-L-rhamnopyranosyl-(1-4)-β-D-glucopyranosyl-(1-6)-β-D-glucopyranoside
Epigeoside
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 6-O-α-D-glucopyranosyl-, (2R-trans)-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 982.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 548.1±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 269 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 124.7±5.0 dyne/cm
Molar Volume: 342.8±5.0 cm3

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