ChemSpider 2D Image | (9'E)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H,9'H,11'H)-trione | C30H31NO10

(9'E)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H,9'H,11'H)-trione

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID4516397
  • Double-bond stereo - Double-bond stereo


More details:






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

(9'E)-9'-[Amino(hydroxy)methylene]-5',6',7a',11a',12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-11a',12'-dihydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-7',8',10'(7a'H,9'H,11'H)-trione [ACD/IUPAC Name]
Spiro[cyclohex-2-ene-1,2'(1'H)-cyclopenta[de]naphthacene]-7',8',10'(9'H,11'H)-trione, 9'-(aminohydroxymethylene)-1',7'a,11'a,12'-tetrahydro-5',6',7'a,11'a,12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-, (9'E)- [ACD/Index Name]
viridicatumtoxin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.3±32.9 °C
Index of Refraction: 1.771
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 46.74
ACD/KOC (pH 5.5): 206.99
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

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