ChemSpider 2D Image | (2S,2'S,3S)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione | C30H22O11

(2S,2'S,3S)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione

  • Molecular FormulaC30H22O11
  • Average mass558.489 Da
  • Monoisotopic mass558.116211 Da
  • ChemSpider ID113608630

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,2'S,3S)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'S,3S)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'S,3S)-2'-(3,4-Dihydroxyphényl)-5,5',7,7'-tétrahydroxy-2-(4-hydroxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,8'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,2'S,3S)- [ACD/Index Name]
[3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2′-(3,4-dihydroxyphenyl)-2,2′,3,3′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,2′S,3R)-
18412-96-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 929.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 312.0±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1226.79
ACD/KOC (pH 5.5): 5511.39
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 63.19
ACD/KOC (pH 7.4): 283.86
Polar Surface Area: 194 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 92.2±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

Click to predict properties on the Chemicalize site


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