Found 17 results

Search term: MF = 'C_{21}H_{27}ClO_{7}'
ChemSpider 2D Image | Methoxymethyl (1S,2S,5R,8R,9R,10S,11R,12S,13S)-13-chloro-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadecane-9-carboxylate | C21H27ClO7

Methoxymethyl (1S,2S,5R,8R,9R,10S,11R,12S,13S)-13-chloro-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate

  • Molecular FormulaC21H27ClO7
  • Average mass426.888 Da
  • Monoisotopic mass426.144531 Da
  • ChemSpider ID111311073

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2S,5R,8R,9R,10S,11R,12S,13S)-13-Chloro-5,12-dihydroxy-11-méthyl-6-méthylène-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadécane-9-carboxylate de méthoxyméthyle [French] [ACD/IUPAC Name]
4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, 3-chlorododecahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-, methoxymethyl ester, (1R,2S,3S,4aS,4bS,7R,9aR,10R,10aS)- [ACD/Index Name]
Methoxymethyl (1S,2S,5R,8R,9R,10S,11R,12S,13S)-13-chloro-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate [ACD/IUPAC Name]
Methoxymethyl-(1S,2S,5R,8R,9R,10S,11R,12S,13S)-13-chlor-5,12-dihydroxy-11-methyl-6-methylen-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecan-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.10
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.10
Polar Surface Area: 102 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

Click to predict properties on the Chemicalize site


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