ChemSpider 2D Image | bound formleptomycin b | C33H52O7

bound formleptomycin b

  • Molecular FormulaC33H52O7
  • Average mass560.762 Da
  • Monoisotopic mass560.371277 Da
  • ChemSpider ID35034024

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-Ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxo-2,10,12,16,18-tetracosapentaendisäure [German] [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-Ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxo-2,10,12,16,18-tetracosapentaenedioic acid [ACD/IUPAC Name]
2,10,12,16,18-Tetracosapentaenedioic acid, 17-ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxo-, (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)- [ACD/Index Name]
Acide (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-éthyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptaméthyl-8-oxo-2,10,12,16,18-tétracosapentaènedioïque [French] [ACD/IUPAC Name]
bound formleptomycin b

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

Density: 1.1±0.1 g/cm3
Boiling Point: 748.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 420.4±29.4 °C
Index of Refraction: 1.525
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 111.03
ACD/KOC (pH 5.5): 392.83
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 524.8±3.0 cm3

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