ChemSpider 2D Image | khekadaengoside K | C30H42O10

khekadaengoside K

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID28483346

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,9β,16α)-16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregna-2,5-dien-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(4R,9β,16α)-16-Hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregna-2,5-dien-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-acetyl-2-(β-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [ACD/Index Name]
khekadaengoside K
β-D-Glucopyranoside de (4R,9β,16α)-16-hydroxy-9,10,14-triméthyl-1,11,20-trioxo-4,9-cyclo-9,10-sécoprégna-2,5-dién-2-yle [French] [ACD/IUPAC Name]
(8S,9R,10R,13R,14S,16R,17R)-17-acetyl-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
122738-86-7 [RN]
2,16-dihydroxy-22,23,24,25,26,27-hexanorcucurbit-5-ene-11,20-dione 2-O-β-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 248.1±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.64
ACD/KOC (pH 5.5): 134.96
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 134.96
Polar Surface Area: 171 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

Click to predict properties on the Chemicalize site


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