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Search term: 34981959 (Found by CSID)
ChemSpider 2D Image | (2aS,3S,4aS,5S,7aS,7bR)-2a,5-Dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-2,2a,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[e]inden-3-yl acetate | C17H26O5

(2aS,3S,4aS,5S,7aS,7bR)-2a,5-Dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-2,2a,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[e]inden-3-yl acetate

  • Molecular FormulaC17H26O5
  • Average mass310.385 Da
  • Monoisotopic mass310.178009 Da
  • ChemSpider ID34981959

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2aS,3S,4aS,5S,7aS,7bR)-2a,5-Dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-2,2a,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[e]inden-3-yl acetate [ACD/IUPAC Name]
(2aS,3S,4aS,5S,7aS,7bR)-2a,5-Dihydroxy-7a-(hydroxymethyl)-2,2,4a-trimethyl-2,2a,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[e]inden-3-yl-acetat [German] [ACD/IUPAC Name]
2aH-Cyclobut[e]indene-2a,3,5-triol, 1,2,3,4,4a,5,7a,7b-octahydro-7a-(hydroxymethyl)-2,2,4a-trimethyl-, 3-acetate, (2aS,3S,4aS,5S,7aS,7bR)- [ACD/Index Name]
Acétate de (2aS,3S,4aS,5S,7aS,7bR)-2a,5-dihydroxy-7a-(hydroxyméthyl)-2,2,4a-triméthyl-2,2a,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[e]indén-3-yle [French] [ACD/IUPAC Name]
punctaporonin M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 425.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 148.5±22.2 °C
Index of Refraction: 1.576
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 55.88
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.88
Polar Surface Area: 87 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 244.5±5.0 cm3

Click to predict properties on the Chemicalize site


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