ChemSpider 2D Image | 271565679C | C30H22O11

271565679C

  • Molecular FormulaC30H22O11
  • Average mass558.489 Da
  • Monoisotopic mass558.116211 Da
  • ChemSpider ID141513
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2,2'-bis(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, 3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)- [ACD/Index Name]
14736-58-4 [RN]
271565679C
GARCINIA BIFLAVONOID 1
(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bichroman]-4,4'-dione
(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S-(2α,3β(2'S*,3'S*)))-
[3,8'-BI-4H-1-BENZOPYRAN]-4,4'-DIONE,2,2',3,3'-TETRAHYDRO-3',5,5',7,7'-PENTAHYDROXY-2,2'-BIS(4-HYDROXYPHENYL)-,(2S,2'R,3R,3'R)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 938.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.1±3.0 kJ/mol
Flash Point: 315.2±27.8 °C
Index of Refraction: 1.768
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 875.04
ACD/KOC (pH 5.5): 4311.64
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 38.49
ACD/KOC (pH 7.4): 189.66
Polar Surface Area: 194 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 93.7±3.0 dyne/cm
Molar Volume: 338.3±3.0 cm3

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