ChemSpider 2D Image | Cytochalasin Z11 | C25H33NO5

Cytochalasin Z11

  • Molecular FormulaC25H33NO5
  • Average mass427.533 Da
  • Monoisotopic mass427.235870 Da
  • ChemSpider ID23329981

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-6,7a-dihydroxy-7-[(1E,4S,6S)-6-hydroxy-4-methyl-5-oxo-1-hepten-1-yl]-4-methyl-5-methyleneoctahydro-1H-isoindol-1-one [ACD/IUPAC Name]
(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-6,7a-dihydroxy-7-[(1E,4S,6S)-6-hydroxy-4-méthyl-5-oxo-1-heptén-1-yl]-4-méthyl-5-méthylèneoctahydro-1H-isoindol-1-one [French] [ACD/IUPAC Name]
(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-6,7a-dihydroxy-7-[(1E,4S,6S)-6-hydroxy-4-methyl-5-oxo-1-hepten-1-yl]-4-methyl-5-methylenoctahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
1H-Isoindol-1-one, octahydro-6,7a-dihydroxy-7-[(1E,4S,6S)-6-hydroxy-4-methyl-5-oxo-1-hepten-1-yl]-4-methyl-5-methylene-3-(phenylmethyl)-, (3S,3aS,4S,6S,7S,7aS)- [ACD/Index Name]
Cytochalasin Z11
(3S,3aS,4S,6S,7S,7aS)-3-benzyl-6,7a-dihydroxy-7-[(1E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-en-1-yl]-4-methyl-5-methylideneoctahydro-1H-isoindol-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472313/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.32
ACD/KOC (pH 5.5): 185.02
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.32
ACD/KOC (pH 7.4): 185.02
Polar Surface Area: 107 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 349.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement