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Search term: YTOFQZXPVPUBGP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 10,11-Dihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0~1,12~.0~5,7~]hexadecane-4,8,9,13-tetrayl tetraacetate | C28H40O12

10,11-Dihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadecane-4,8,9,13-tetrayl tetraacetate

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID468997

More details:






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

10,11-Dihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadecan-4,8,9,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
10,11-Dihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadecane-4,8,9,13-tetrayl tetraacetate [ACD/IUPAC Name]
4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecen-4(1H)-one, 2,7,10,11-tetrakis(acetyloxy)decahydro-8,9-dihydroxy-1,1,3,6,9-pentamethyl- [ACD/Index Name]
Tetraacétate de 10,11-dihydroxy-3,6,6,10,14-pentaméthyl-2-oxo-16-oxatétracyclo[10.3.1.01,12.05,7]hexadécane-4,8,9,13-tétrayle [French] [ACD/IUPAC Name]
5,6-Dihydroxyingol 3,7,8,12-tetraacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 647.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 204.1±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.76
ACD/KOC (pH 5.5): 719.07
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.76
ACD/KOC (pH 7.4): 719.07
Polar Surface Area: 175 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

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