ChemSpider 2D Image | momordicoside K | C37H60O9

momordicoside K

  • Molecular FormulaC37H60O9
  • Average mass648.867 Da
  • Monoisotopic mass648.423706 Da
  • ChemSpider ID60601120

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,4R,7S,9β,23E)-9-Formyl-1-hydroxy-25-methoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-9-Formyl-1-hydroxy-25-methoxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
81348-84-7 [RN]
Estr-5-ene-9-carboxaldehyde, 7-(β-D-glucopyranosyloxy)-3-hydroxy-17-[(1R,3E)-5-methoxy-1,5-dimethyl-3-hexen-1-yl]-4,4,14-trimethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]
momordicoside K
β-D-Glucopyranoside de (1S,4R,7S,9β,23E)-9-formyl-1-hydroxy-25-méthoxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23-dién-7-yle [French] [ACD/IUPAC Name]
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
CID 57330180

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

Density: 1.2±0.1 g/cm3
Boiling Point: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 221.8±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 693.16
ACD/KOC (pH 5.5): 3758.98
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 693.15
ACD/KOC (pH 7.4): 3758.95
Polar Surface Area: 146 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 534.1±5.0 cm3

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