ChemSpider 2D Image | krishnagranatin F | C32H40O11

krishnagranatin F

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID71048825

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,17R,19R,20R)-9-(3-Furyl)-17,19-dihydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,19]icos-20-yl 
 (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,17R,19R,20R)-9-(3-Furyl)-17,19-dihydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,19]icos-20-yl 
-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,17R,19R,20R)-9-(3-furyl)-17,19-dihydroxy-15-(2-méthoxy-2-oxoéthyl)-10,14,16-triméthyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13 .05,10.014,19]icos-20-yle [French] [ACD/IUPAC Name]
krishnagranatin F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.0±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.81
ACD/KOC (pH 5.5): 1089.15
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.79
ACD/KOC (pH 7.4): 1088.92
Polar Surface Area: 154 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 430.0±5.0 cm3

Click to predict properties on the Chemicalize site


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