ChemSpider 2D Image | viridicatumtoxin B | C30H29NO10

viridicatumtoxin B

  • Molecular FormulaC30H29NO10
  • Average mass563.552 Da
  • Monoisotopic mass563.179138 Da
  • ChemSpider ID29355821
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

(1S,7a'S,11a'R)-5',6',7a',10',11a'-Pentahydroxy-3'-methoxy-2,6,6-trimethyl-7',8',12'-trioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide [ACD/IUPAC Name]
Spiro[cyclohex-2-ene-1,2'(1'H)-cyclopenta[de]naphthacene]-9'-carboxamide, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a-pentahydroxy-3'-methoxy-2,6,6-trimethyl-7',8',12'-trioxo-, (1S,7a'S,11a'R) - [ACD/Index Name]
viridicatumtoxin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 838.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 460.9±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 22.48
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 342.2±5.0 cm3

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