ChemSpider 2D Image | (2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy(2,3,4-~13~C_3_)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | C1913C3H18O10

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy(2,3,4-13C3)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC1913C3H18O10
  • Average mass445.350 Da
  • Monoisotopic mass445.100067 Da
  • ChemSpider ID111311515

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy(2,3,4-13C3)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy(2,3,4-13C3)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (2S,3R)-2-(3,4-dihydroxyphényl)-5,7-dihydroxy(2,3,4-13C3)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl-2,3,4-13C3 ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.825
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 132.0±5.0 dyne/cm
Molar Volume: 244.4±5.0 cm3

Click to predict properties on the Chemicalize site


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