ChemSpider 2D Image | (2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7,7a-dihydro-1aH-oxireno[b]chromen-7-yl]-3,5,7-chromanetriol | C30H24O12

(2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7,7a-dihydro-1aH-oxireno[b]chromen-7-yl]-3,5,7-chromanetriol

  • Molecular FormulaC30H24O12
  • Average mass576.504 Da
  • Monoisotopic mass576.126770 Da
  • ChemSpider ID58928916

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7,7a-dihydro-1aH-oxireno[b]chromen-7-yl]-3,5,7-chromanetriol [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphényl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphényl)-4,6-dihydroxy-7,7a-dihydro-1aH-oxiréno[b]chromén-7-yl]-3,5,7-chromanetriol [French] [ACD/IUPAC Name]
(2R,3S)-2-(3,4-Dihydroxyphenyl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7,7a-dihydro-1aH-oxireno[b]chromen-7-yl]-3,5,7-chromantriol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-8-[(1aS,7R,7aR)-1a-(3,4-dihydroxyphenyl)-1a,7a-dihydro-4,6-dihydroxy-7H-oxireno[b][1]benzopyran-7-yl]-3,4-dihydro-, (2R,3S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 949.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.2±34.3 °C
Index of Refraction: 1.829
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.29
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.16
Polar Surface Area: 213 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 116.0±3.0 dyne/cm
Molar Volume: 326.7±3.0 cm3

Click to predict properties on the Chemicalize site


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