ChemSpider 2D Image | (3E,9R,11E,12aS,13S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,14,15-trimethyl-6,7,8,9,10,12a,13,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione | C29H35NO5

(3E,9R,11E,12aS,13S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,14,15-trimethyl-6,7,8,9,10,12a,13,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione

  • Molecular FormulaC29H35NO5
  • Average mass477.592 Da
  • Monoisotopic mass477.251526 Da
  • ChemSpider ID35516915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3E,9R,11E,12aS,13S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,14,15-trimethyl-6,7,8,9,10,12a,13,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindol-2,5,18-trion [German] [ACD/IUPAC Name]
(3E,9R,11E,12aS,13S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,14,15-trimethyl-6,7,8,9,10,12a,13,15a,16,17-decahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione [ACD/IUPAC Name]
(3E,9R,11E,12aS,13S,15aS,16S,18aS)-16-Benzyl-13-hydroxy-9,14,15-triméthyl-6,7,8,9,10,12a,13,15a,16,17-décahydro-2H-oxacyclotétradécino[2,3-d]isoindole-2,5,18-trione [French] [ACD/IUPAC Name]
2H-Oxacyclotetradecino[2,3-d]isoindole-2,5,18-trione, 6,7,8,9,10,12a,13,15a,16,17-decahydro-13-hydroxy-9,14,15-trimethyl-16-(phenylmethyl)-, (3E,9R,11E,12aS,13S,15aS,16S,18aS)- [ACD/Index Name]
Cytochalasin B3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.89
ACD/KOC (pH 5.5): 1350.70
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.89
ACD/KOC (pH 7.4): 1350.70
Polar Surface Area: 93 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


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