Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | krishnagranatin A | C31H40O10

krishnagranatin A

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID71048820

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,5R,6R,10R,13S,14R,15R,18R,19S)-6-(3-Furyl)-2,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadec-11-en-14-yl 2-methylpropa ; noate [ACD/IUPAC Name]
(1S,2R,5R,6R,10R,13S,14R,15R,18R,19S)-6-(3-Furyl)-2,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadec-11-en-14-yl-2-methylpropa ; noat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (1S,2R,5R,6R,10R,13S,14R,15R,18R,19S)-6-(3-furyl)-2,18-dihydroxy-19-(2-méthoxy-2-oxoéthyl)-1,5,15-triméthyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadéc-11- 
én-14-yle [French] [ACD/IUPAC Name]
3,12-Methano-2H,6H-naphtho[2,1-b:6,5-c']dipyran-4-acetic acid, 7-(3-furanyl)-3,4,4a,4b,5,6a,7,9,10,10a,12,12a-dodecahydro-4b,12a-dihydroxy-3,4a,6a-trimethyl-13-(2-methyl-1-oxopropoxy)-9-oxo-, methyl e ster, (3R,4S,4aS,4bR,6aR,7R,10aR,12S,12aR,13R)- [ACD/Index Name]
krishnagranatin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.72
ACD/KOC (pH 5.5): 1101.26
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.70
ACD/KOC (pH 7.4): 1101.07
Polar Surface Area: 142 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 425.6±5.0 cm3

Click to predict properties on the Chemicalize site


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