ChemSpider 2D Image | alterporriol Y | C32H30O12

alterporriol Y

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID88294761

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R,6'R,7S,7'S)-4,4',6,6',7,7'-Hexahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
(6R,6'R,7S,7'S)-4,4',6,6',7,7'-Hexahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
(6R,6'R,7S,7'S)-4,4',6,6',7,7'-Hexahydroxy-2,2'-diméthoxy-7,7'-diméthyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
[1,1'-Bianthracene]-9,9',10,10'-tetrone, 5,5',6,6',7,7',8,8'-octahydro-4,4',6,6',7,7'-hexahydroxy-2,2'-dimethoxy-7,7'-dimethyl-, (6R,6'R,7S,7'S)- [ACD/Index Name]
alterporriol Y

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

Density: 1.7±0.1 g/cm3
Boiling Point: 937.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 306.9±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 45.43
ACD/KOC (pH 5.5): 371.33
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 99.5±5.0 dyne/cm
Molar Volume: 366.9±5.0 cm3

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