ChemSpider 2D Image | (1S,7S,9beta,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl beta-D-glucopyranoside | C36H58O9

(1S,7S,9β,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl β-D-glucopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID22913223

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(1S,7S,9β,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,7S,9β,23E)-9-Formyl-1,25-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Estr-5-ene-9-carboxaldehyde, 7-(β-D-glucopyranosyloxy)-3-hydroxy-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-4,4,14-trimethyl-, (3β,7β,9β,10ξ,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,7S,9β,23E)-9-formyl-1,25-dihydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23-dién-7-yle [French] [ACD/IUPAC Name]
81348-83-6 [RN]
Momordicoside L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 229.1±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 171.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.91
ACD/KOC (pH 5.5): 1679.46
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.90
ACD/KOC (pH 7.4): 1679.45
Polar Surface Area: 157 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 509.3±5.0 cm3

Click to predict properties on the Chemicalize site


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