ChemSpider 2D Image | (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one | C35H56O8

(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one

  • Molecular FormulaC35H56O8
  • Average mass604.814 Da
  • Monoisotopic mass604.397522 Da
  • ChemSpider ID4943262

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-on [German] [ACD/IUPAC Name]
(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one [ACD/IUPAC Name]
(3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R)-3,9-Dihydroxy-4,8,10-triméthyl-5-oxo-6-undécén-2-yl]-8-hydroxy-3,15-diméthoxy-5,7,9,11-tétraméthyloxacyclohexadéca-3,5,11,13-tétraén-2-one [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 16-[(1S,2R,3S,5E,7S,8R)-2,8-dihydroxy-1,3,7,9-tetramethyl-4-oxo-5-decen-1-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3E,5E,7R,8S,9S,11E,13E,15S,16R) - [ACD/Index Name]
98813-13-9 [RN]
Bafilomycin D
Hygrolidin, 21-de((3-carboxy-1-oxo-2-propenyl)oxy)-19,23-deepoxy-20,21-didehydro-2-demethyl-19-deoxy-23-hydroxy-2-methoxy-24-methyl-19-oxo-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 752.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 226.5±26.4 °C
Index of Refraction: 1.525
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2030.06
ACD/KOC (pH 5.5): 8111.71
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2030.06
ACD/KOC (pH 7.4): 8111.71
Polar Surface Area: 123 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 557.1±5.0 cm3

Click to predict properties on the Chemicalize site


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