ChemSpider 2D Image | Mogroside III | C48H82O19

Mogroside III

  • Molecular FormulaC48H82O19
  • Average mass963.153 Da
  • Monoisotopic mass962.545044 Da
  • ChemSpider ID30773374

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(1S,4R,9β,11α,24R)-24-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-24-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
130567-83-8 [RN]
Mogroside III
β-D-Glucopyranoside de (1S,4R,9β,11α,24R)-24-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,9β,10α,11α,17β)-17-[(1R,4R)-4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-1,5-dimethylhexyl]-11-hydroxy-4,4,9,14-tetramethylestr-5-en- 3-yl [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3R,6R)-2-hydroxy-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-11-hydroxy-4,4,9,13,14-pentamethyl-3-[(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]phenanthren-17-yl]-2-methylheptan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
[130567-83-8] [RN]
b-D-Glucopyranoside, (3b,9b,10a,11a,24R)-3-(b-D-glucopyranosyloxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl6-O-b-D-glucopyranosyl-
MFCD00238648
More...

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

99LVR5N10I [DBID]
UNII:99LVR5N10I [DBID]
UNII-99LVR5N10I [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1048.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 173.6±6.0 kJ/mol
    Flash Point: 587.8±34.3 °C
    Index of Refraction: 1.619
    Molar Refractivity: 239.7±0.4 cm3
    #H bond acceptors: 19
    #H bond donors: 13
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 3.50
    ACD/KOC (pH 5.5): 85.31
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 3.50
    ACD/KOC (pH 7.4): 85.31
    Polar Surface Area: 318 Å2
    Polarizability: 95.0±0.5 10-24cm3
    Surface Tension: 74.9±5.0 dyne/cm
    Molar Volume: 683.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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