ChemSpider 2D Image | Mogroside I-A1 | C36H62O9

Mogroside I-A1

  • Molecular FormulaC36H62O9
  • Average mass638.872 Da
  • Monoisotopic mass638.439392 Da
  • ChemSpider ID64866989

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,4R,9β,11α,24R)-1,11,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-1,11,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
88901-46-6 [RN]
Mogroside I-A1
β-D-Glucopyranoside de (1S,4R,9β,11α,24R)-1,11,25-trihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,4R)-4-[(3β,9β,10α,11α,17β)-3,11-dihydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydroxy-1-methylethyl)pentyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-2-methylheptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
mogroside i a1
Mogroside Ia

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 762.5±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: 415.0±32.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 172.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 271.55
    ACD/KOC (pH 5.5): 1922.00
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 271.55
    ACD/KOC (pH 7.4): 1921.99
    Polar Surface Area: 160 Å2
    Polarizability: 68.3±0.5 10-24cm3
    Surface Tension: 57.8±5.0 dyne/cm
    Molar Volume: 516.9±5.0 cm3

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