ChemSpider 2D Image | Dimethyl 1,1',5,5'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate | C32H30O12

Dimethyl 1,1',5,5'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID380413

More details:

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

[7,7'-Bi-3H-xanthene]-4a,4'a(4H,4'H)-dicarboxylic acid, 2,2',9,9'-tetrahydro-4,4',8,8'-tetrahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester [ACD/Index Name]
1,1',5,5'-Tétrahydroxy-6,6'-diméthyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthène-10a,10a'-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 1,1',5,5'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1,1',5,5'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-2,2'-bixanthen-10a,10a'-dicarboxylat [German] [ACD/IUPAC Name]
SECALONEN A
SECALONEN B

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

AIDS128372 [DBID]
AIDS-128372 [DBID]
NSC268923 [DBID]
NSC268924 [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: 832.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 271.0±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 492.88
ACD/KOC (pH 5.5): 2654.37
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 4.44
ACD/KOC (pH 7.4): 23.89
Polar Surface Area: 186 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 386.7±5.0 cm3

Click to predict properties on the Chemicalize site


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