ChemSpider 2D Image | chaetoglobosin Q | C32H38N2O6

chaetoglobosin Q

  • Molecular FormulaC32H38N2O6
  • Average mass546.654 Da
  • Monoisotopic mass546.273010 Da
  • ChemSpider ID9436334

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindol-1,14,17-trion [German] [ACD/IUPAC Name]
(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-Trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione [ACD/IUPAC Name]
(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-Trihydroxy-3-(1H-indol-3-ylméthyl)-4,5,10,12-tétraméthyl-2,3,3a,4,5,6,6a,9,10,13-décahydro-1H-cyclotridéca[d]isoindole-1,14,17-trione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,14,17-trione, 2,3,3a,4,5,6,6a,9,10,13-decahydro-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)- [ACD/Index Name]
chaetoglobosin Q
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443917/
  • Miscellaneous

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 449.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 140 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 411.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement