ChemSpider 2D Image | (1beta,11alpha,12alpha)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 1-cyclopenten-1-ylacetate | C27H34O9

(1β,11α,12α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 1-cyclopenten-1-ylacetate

  • Molecular FormulaC27H34O9
  • Average mass502.553 Da
  • Monoisotopic mass502.220276 Da
  • ChemSpider ID348066

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1β,11α,12α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 1-cyclopenten-1-ylacetate [ACD/IUPAC Name]
(1β,11α,12α)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-1-cyclopenten-1-ylacetat [German] [ACD/IUPAC Name]
1-Cyclopentén-1-ylacétate de (1β,11α,12α)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
1-Cyclopentene-1-acetic acid, (1β,11α,12α)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index Name]
NSC-693539

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

NCI60_033487 [DBID]
NSC693539 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 241.3±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.10
ACD/KOC (pH 5.5): 111.75
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 111.75
Polar Surface Area: 140 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 350.9±5.0 cm3

Click to predict properties on the Chemicalize site


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