ChemSpider 2D Image | Cytochalasin F | C29H37NO5

Cytochalasin F

  • Molecular FormulaC29H37NO5
  • Average mass479.608 Da
  • Monoisotopic mass479.267181 Da
  • ChemSpider ID64854557
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(1E,4R,8R,9E,12aS,15S,15aS,16aR,17bS)-15-Benzyl-8-hydroxy-4,16,16a-trimethyl-5,6,7,8,15,15a,16,16a,17a,17b-decahydro-3H-oxacyclotetradecino[2,3-d]oxireno[f]isoindol-11,13(4H,14H)-dion [German] [ACD/IUPAC Name]
(1E,4R,8R,9E,12aS,15S,15aS,16aR,17bS)-15-Benzyl-8-hydroxy-4,16,16a-trimethyl-5,6,7,8,15,15a,16,16a,17a,17b-decahydro-3H-oxacyclotetradecino[2,3-d]oxireno[f]isoindole-11,13(4H,14H)-dione [ACD/IUPAC Name]
(1E,4R,8R,9E,12aS,15S,15aS,16aR,17bS)-15-Benzyl-8-hydroxy-4,16,16a-triméthyl-5,6,7,8,15,15a,16,16a,17a,17b-décahydro-3H-oxacyclotétradécino[2,3-d]oxiréno[f]isoindole-11,13(4H,14H)-dione [French] [ACD/IUPAC Name]
36084-18-1 [RN]
3H-Oxacyclotetradecino[2,3-d]oxireno[f]isoindole-11,13(4H,14H)-dione, 5,6,7,8,15,15a,16,16a,17a,17b-decahydro-8-hydroxy-4,16,16a-trimethyl-15-(phenylmethyl)-, (1E,4R,8R,9E,12aS,15S,15aS,16aR,17bS)- [ACD/Index Name]
Cytochalasin F

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

O75KLH41XO [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.90
ACD/KOC (pH 5.5): 1903.47
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.90
ACD/KOC (pH 7.4): 1903.47
Polar Surface Area: 88 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 392.0±5.0 cm3

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