ChemSpider 2D Image | Dimethyl (5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5',8,8',9-heptahydroxy-6,6'-dimethyl-9'-oxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate | C32H32O14

Dimethyl (5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5',8,8',9-heptahydroxy-6,6'-dimethyl-9'-oxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate

  • Molecular FormulaC32H32O14
  • Average mass640.588 Da
  • Monoisotopic mass640.179199 Da
  • ChemSpider ID24680017

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5',8,8',9-Heptahydroxy-6,6'-diméthyl-9'-oxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthène-10a,10a'-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
[7,7'-Bi-3H-xanthene]-4a,4'a(4H,4'H)-dicarboxylic acid, 2,2',9,9'-tetrahydro-1,1',4,4',8,8',9-heptahydroxy-3,3'-dimethyl-9'-oxo-, dimethyl ester, (3S,3'S,4R,4'R,4aR,4a'R)- [ACD/Index Name]
Dimethyl (5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5',8,8',9-heptahydroxy-6,6'-dimethyl-9'-oxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5',8,8',9-heptahydroxy-6,6'-dimethyl-9'-oxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthen-10a,10a'-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 895.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 290.0±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 38.01
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

Click to predict properties on the Chemicalize site


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