Found 10 results

Search term: PQOVWWZVVIGRPP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S,8beta,9alpha,13alpha,14beta,16beta,17xi,20S,23E)-2-(alpha-L-Gulopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate | C38H56O13

(4S,8β,9α,13α,14β,16β,17ξ,20S,23E)-2-(α-L-Gulopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID82965200

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(4S,8β,9α,13α,14β,16β,17ξ,20S,23E)-2-(α-L-Gulopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate [ACD/IUPAC Name]
(4S,8β,9α,13α,14β,16β,17ξ,20S,23E)-2-(α-L-Gulopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4S,8β,9α,13α,14β,16β,17ξ,20S,23E)-2-(α-L-gulopyranosyloxy)-16,20-dihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-5,23-dién-25-yle [French] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-[(1S,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(α-L-gulopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (8α,13α,14β,16β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 856.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 257.9±27.8 °C
Index of Refraction: 1.594
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.19
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.19
Polar Surface Area: 217 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 537.0±5.0 cm3

Click to predict properties on the Chemicalize site


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