Found 1 result

Search term: BCOCGECOKJMZPV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1beta,11beta,12alpha,15beta)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl (1-hydroxycyclobutyl)acetate | C26H34O10

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

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID8499388

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1-Hydroxycyclobutyl)acétate de (1β,11β,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
(1β,11β,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl (1-hydroxycyclobutyl)acetate [ACD/IUPAC Name]
(1β,11β,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-(1-hydroxycyclobutyl)acetat [German] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 1-hydroxy-, (1β,11β,12α,15β)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494374/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 736.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 248.2±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 160 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 339.3±5.0 cm3

Click to predict properties on the Chemicalize site


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