ChemSpider 2D Image | [(2R,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3'-oxo-4',5,5',6,7,7a-hexahydro-3'H,4H-spiro[1-benzofuran-2,2'-furan]-3-yl]methyl acetate | C17H24O7

[(2R,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3'-oxo-4',5,5',6,7,7a-hexahydro-3'H,4H-spiro[1-benzofuran-2,2'-furan]-3-yl]methyl acetate

  • Molecular FormulaC17H24O7
  • Average mass340.368 Da
  • Monoisotopic mass340.152191 Da
  • ChemSpider ID29418460

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3'-oxo-4',5,5',6,7,7a-hexahydro-3'H,4H-spiro[1-benzofuran-2,2'-furan]-3-yl]methyl acetate [ACD/IUPAC Name]
[(2R,6S,7R,7aS)-6,7-Dihydroxy-5',5',6-trimethyl-3'-oxo-4',5,5',6,7,7a-hexahydro-3'H,4H-spiro[1-benzofuran-2,2'-furan]-3-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(2R,6S,7R,7aS)-6,7-dihydroxy-5',5',6-triméthyl-3'-oxo-4',5,5',6,7,7a-hexahydro-3'H,4H-spiro[1-benzofuran-2,2'-furan]-3-yl]méthyle [French] [ACD/IUPAC Name]
Spiro[benzofuran-2(4H),2'(3'H)-furan]-3'-one, 3-[(acetyloxy)methyl]-4',5,5',6,7,7a-hexahydro-6,7-dihydroxy-5',5',6-trimethyl-, (2R,6S,7R,7aS)- [ACD/Index Name]
Pleurospiroketal C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 175.9±22.2 °C
Index of Refraction: 1.561
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.41
ACD/KOC (pH 5.5): 116.56
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 116.56
Polar Surface Area: 102 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 254.9±5.0 cm3

Click to predict properties on the Chemicalize site


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