ChemSpider 2D Image | 4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate) | C22H31ClO8

4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate)

  • Molecular FormulaC22H31ClO8
  • Average mass458.930 Da
  • Monoisotopic mass458.170746 Da
  • ChemSpider ID35015085

More details:

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

4-(Acetoxymethyl)-7-(chlormethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl-bis(3-methylbutanoat) [German] [ACD/IUPAC Name]
4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1,6-diyl bis(3-methylbutanoate) [ACD/IUPAC Name]
Bis(3-méthylbutanoate) de 4-(acétoxyméthyl)-7-(chlorométhyl)-7-hydroxy-1,6,7,7a-tétrahydrocyclopenta[c]pyrane-1,6-diyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl ester [ACD/Index Name]
4-[(acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,6H,7aH-cyclopenta[c]pyran-6-yl 3-methylbutanoate
Valechlorin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.56
ACD/KOC (pH 5.5): 694.98
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.55
ACD/KOC (pH 7.4): 694.87
Polar Surface Area: 108 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 365.7±5.0 cm3

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