ChemSpider 2D Image | (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside | C36H52O12

(16α,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-β-D-glucopyranoside

  • Molecular FormulaC36H52O12
  • Average mass676.791 Da
  • Monoisotopic mass676.345886 Da
  • ChemSpider ID28482756

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(16α,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-β-D-glucopyranoside
(4R,9β,16α,24S)-20,25-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(4R,9β,16α,24S)-20,25-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-Naphth[2',1':4,5]indeno[2,1-b]oxepin-2,5,8(4bH)-trione, 3-(β-D-glucopyranosyloxy)-4a,6,6a,6b,7,9,10,11a,12,12a,12b,13-dodecahydro-7-hydroxy-10-(1-hydroxy-1-methylethyl)-1,1,4b,6a,7,12a-hexamethy l-, (4aR,4bR,6aR,6bR,7R,10S,11aR,12aS,12bS)- [ACD/Index Name]
β-D-Glucopyranoside de (4R,9β,16α,24S)-20,25-dihydroxy-9,10,14-triméthyl-1,11,22-trioxo-16,24-époxy-4,9-cyclo-9,10-sécocholesta-2,5-dién-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 856.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.5±6.0 kJ/mol
Flash Point: 264.7±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.03
ACD/KOC (pH 5.5): 328.67
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.03
ACD/KOC (pH 7.4): 328.67
Polar Surface Area: 200 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 489.4±5.0 cm3

Click to predict properties on the Chemicalize site


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