ChemSpider 2D Image | viridicatumtoxin | C30H31NO10

viridicatumtoxin

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID57260407

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,7a'R,11a'R,12'R)-5',6',7a',10',11a',12'-Hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboximidic a cid [ACD/IUPAC Name]
39277-41-3 [RN]
Spiro[cyclohex-2-ene-1,2'(1'H)-cyclopenta[de]naphthacene]-9'-carboximidic acid, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a,12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (1R,7a'R,11 a'R,12'R)- [ACD/Index Name]
viridicatumtoxin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 818.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.7±37.1 °C
Index of Refraction: 1.744
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 71.8±7.0 dyne/cm
Molar Volume: 340.3±7.0 cm3

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