ChemSpider 2D Image | Momordicin II | C36H58O9

Momordicin II

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID82827028

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1S,4R,7S,9β)-9-Formyl-1,7-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-23-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,7S,9β)-9-Formyl-1,7-dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-23-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
91590-75-9 [RN]
Estr-5-ene-9-carboxaldehyde, 17-[(1R)-3-(β-D-glucopyranosyloxy)-1,5-dimethyl-4-hexen-1-yl]-3,7-dihydroxy-4,4,14-trimethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]
Momordicin II
β-D-Glucopyranoside de (1S,4R,7S,9β)-9-formyl-1,7-dihydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,24-dién-23-yle [French] [ACD/IUPAC Name]
(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
19-Norlanosta-5,24-diene-9-carboxaldehyde, 23-(β-D-glucopyranosyloxy)-3,7-dihydroxy-, (3β,7β,9β,10α)-
Momordicine II

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 231.1±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 297.64
ACD/KOC (pH 5.5): 2052.46
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.64
ACD/KOC (pH 7.4): 2052.44
Polar Surface Area: 157 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 509.4±5.0 cm3

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