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Search term: PQJSBGAESXRXQB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Cytochalasin Z10 | C25H35NO5

Cytochalasin Z10

  • Molecular FormulaC25H35NO5
  • Average mass429.549 Da
  • Monoisotopic mass429.251526 Da
  • ChemSpider ID23329910

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-7-[(1E,4S,5R,6R)-5,6-dihydroxy-4-methyl-1-hepten-1-yl]-6,7a-dihydroxy-4-methyl-5-methyleneoctahydro-1H-isoindol-1-one [ACD/IUPAC Name]
(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-7-[(1E,4S,5R,6R)-5,6-dihydroxy-4-méthyl-1-heptén-1-yl]-6,7a-dihydroxy-4-méthyl-5-méthylèneoctahydro-1H-isoindol-1-one [French] [ACD/IUPAC Name]
(3S,3aS,4S,6S,7S,7aS)-3-Benzyl-7-[(1E,4S,5R,6R)-5,6-dihydroxy-4-methyl-1-hepten-1-yl]-6,7a-dihydroxy-4-methyl-5-methylenoctahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
1H-Isoindol-1-one, 7-[(1E,4S,5R,6R)-5,6-dihydroxy-4-methyl-1-hepten-1-yl]octahydro-6,7a-dihydroxy-4-methyl-5-methylene-3-(phenylmethyl)-, (3S,3aS,4S,6S,7S,7aS)- [ACD/Index Name]
Cytochalasin Z10
(3S,3aS,4S,6S,7S,7aS)-3-benzyl-7-[(1E,4S,5R,6R)-5,6-dihydroxy-4-methylhept-1-en-1-yl]-6,7a-dihydroxy-4-methyl-5-methylideneoctahydro-1H-isoindol-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459866/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 114.29
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.26
ACD/KOC (pH 7.4): 114.29
Polar Surface Area: 110 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 350.2±5.0 cm3

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