ChemSpider 2D Image | (2S,3S,4S)-2-{[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol | C30H26O14

(2S,3S,4S)-2-{[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol

  • Molecular FormulaC30H26O14
  • Average mass610.519 Da
  • Monoisotopic mass610.132263 Da
  • ChemSpider ID2497182

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4S)-2-{[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol [ACD/IUPAC Name]
(2S,3S,4S)-2-{[(2S,3R)-2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-3,4-dihydro-2H-chromén-3-yl]oxy}-2-(3,4,5-trihydroxyphényl)-3,4,5,7-chromanetétrol [French] [ACD/IUPAC Name]
(2S,3S,4S)-2-{[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromantetrol [German] [ACD/IUPAC Name]
2H-1-Benzopyran-3,4,5,7-tetrol, 2-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3S,4S)- [ACD/Index Name]

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

NCGC00014375 [DBID]
NSC-143101 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 988.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 551.6±34.3 °C
Index of Refraction: 1.903
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.06
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.23
Polar Surface Area: 250 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 163.0±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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