Found 2 results

Search term: GNUQDKRCUAQQRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (4S,5E,7R,8beta,15R,16R)-4,12-diacetoxy-9-oxo-7,16:8,15-dicycloprosta-5,10-dien-1-oate | C25H34O7

Methyl (4S,5E,7R,8β,15R,16R)-4,12-diacetoxy-9-oxo-7,16:8,15-dicycloprosta-5,10-dien-1-oate

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID29212671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,5E,7R,8β,15R,16R)-4,12-Diacétoxy-9-oxo-7,16:8,15-dicycloprosta-5,10-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
5-Hexenoic acid, 4-(acetyloxy)-6-[(1R,2R,2aR,4aS,7aS)-4a-(acetyloxy)-2-butyl-2,2a,3,4,4a,7-hexahydro-7-oxo-1H-cyclobuta[c]pentalen-1-yl]-, methyl ester, (4S,5E)- [ACD/Index Name]
Methyl (4S,5E,7R,8β,15R,16R)-4,12-diacetoxy-9-oxo-7,16:8,15-dicycloprosta-5,10-dien-1-oate [ACD/IUPAC Name]
Methyl-(4S,5E,7R,8β,15R,16R)-4,12-diacetoxy-9-oxo-7,16:8,15-dicycloprosta-5,10-dien-1-oat [German] [ACD/IUPAC Name]
clavucyclin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 234.5±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 117.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.94
ACD/KOC (pH 5.5): 1821.61
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.94
ACD/KOC (pH 7.4): 1821.61
Polar Surface Area: 96 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 377.6±5.0 cm3

Click to predict properties on the Chemicalize site


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