ChemSpider 2D Image | bafilomycin P | C38H60O10

bafilomycin P

  • Molecular FormulaC38H60O10
  • Average mass676.877 Da
  • Monoisotopic mass676.418640 Da
  • ChemSpider ID101936363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-{(2S,3R,4S)-3-hydroxy-4-[(2aS,4aR,6S,7S,7aS,7bR)-2a-hydroxy-6-isopropyl-7-methylhexahydro-2H,4aH-1,4,5-trioxacyclopenta[cd]inden-4a-yl]-2-pentanyl}-3,15-d imethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-on [German] [ACD/IUPAC Name]
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-{(2S,3R,4S)-3-hydroxy-4-[(2aS,4aR,6S,7S,7aS,7bR)-2a-hydroxy-6-isopropyl-7-methylhexahydro-2H,4aH-1,4,5-trioxacyclopenta[cd]inden-4a-yl]-2-pentanyl}-3,15-d imethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one [ACD/IUPAC Name]
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-Hydroxy-16-{(2S,3R,4S)-3-hydroxy-4-[(2aS,4aR,6S,7S,7aS,7bR)-2a-hydroxy-6-isopropyl-7-méthylhexahydro-2H,4aH-1,4,5-trioxacyclopenta[cd]indén-4a-yl]-2-pentanyl}-3,15-d iméthoxy-5,7,9,11-tétraméthyloxacyclohexadéca-3,5,11,13-tétraén-2-one [French] [ACD/IUPAC Name]
bafilomycin P
Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 16-[(1S,2R,3S)-3-[(2aS,4aR,6S,7S,7aS,7bR)-hexahydro-2a-hydroxy-7-methyl-6-(1-methylethyl)-2H,4aH-1,4,5-trioxacyclopent[cd]inden-4a-yl]-2-hydroxy-1-methylbutyl ]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 183.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3812.54
ACD/KOC (pH 5.5): 12735.83
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3812.54
ACD/KOC (pH 7.4): 12735.81
Polar Surface Area: 133 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 578.4±5.0 cm3

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