ChemSpider 2D Image | Mogroside I-E1 | C36H62O9

Mogroside I-E1

  • Molecular FormulaC36H62O9
  • Average mass638.872 Da
  • Monoisotopic mass638.439392 Da
  • ChemSpider ID64808490

  • 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)-11,24,25-Trihydroxy-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)-11,24,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
88901-39-7 [RN]
Mogroside I-E1
β-D-Glucopyranoside de (1S,4R,9β,11α,24R)-11,24,25-trihydroxy-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)-4,5-dihydroxy-1,5-dimethylhexyl]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-3-yl [ACD/Index Name]
(24R)-cucurbit-5-ene-3β,11α,24,25-tetrol 3-β-D-glucoside
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
3-O-β-D-glucosylmogrol
mogrol 3-O-β-D-glucoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 759.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 413.0±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: 3.54
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.63
ACD/KOC (pH 5.5): 1514.36
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.63
ACD/KOC (pH 7.4): 1514.35
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

Click to predict properties on the Chemicalize site


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