ChemSpider 2D Image | Neomogroside | C66H112O34

Neomogroside

  • Molecular FormulaC66H112O34
  • Average mass1449.575 Da
  • Monoisotopic mass1448.703491 Da
  • ChemSpider ID24721801
  • defined stereocentres - 40 of 40 defined stereocentres


More details:






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

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-{[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] oxy}-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-hydroxy-6-methyl-2-heptanyl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,4,7 ,8,9,10,11,12,13,14,15,16,17-tetradecahydro- [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-{[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl] oxy}-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-hydroxy-6-méthyl-2-heptanyl]-11-hydroxy-4,4,9,13,14-pentaméthyl-2,3,4,7 ,8,9,10,11,12,13,14,15,16,17-tétradécahydro- [French] [ACD/IUPAC Name]
Neomogroside [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 340.8±0.4 cm3
#H bond acceptors: 34
#H bond donors: 22
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -3.69
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 556 Å2
Polarizability: 135.1±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 930.7±5.0 cm3

Click to predict properties on the Chemicalize site





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