ChemSpider 2D Image | Isochamaejasmin | C30H22O10

Isochamaejasmin

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID346018

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'S,3S,3'R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,2'S,3S,3'R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2R,2'S,3S,3'R)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,3'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,3'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'S,3S,3'R)- [ACD/Index Name]
93859-63-3 [RN]
iso-Chamaejasmin
Isochamaejasmin
(2R,2'S,3S,3'R)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,3'-bichroman]-4,4'-dione
(2R,2'S,3S,3'R)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-[3,3'-bi-1-benzopyran]-4,4'-dione
[93859-63-3] [RN]
More...

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

C09758 [DBID]
NSC687700 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 932.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.3±3.0 kJ/mol
Flash Point: 314.2±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3876.22
ACD/KOC (pH 5.5): 12728.67
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 499.52
ACD/KOC (pH 7.4): 1640.30
Polar Surface Area: 174 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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