ChemSpider 2D Image | Neritaloside | C32H48O10

Neritaloside

  • Molecular FormulaC32H48O10
  • Average mass592.718 Da
  • Monoisotopic mass592.324768 Da
  • ChemSpider ID23339389

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,16β)-16-Acetoxy-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3-[(6-desoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3-[(6-désoxy-3-O-méthyl-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
465-13-4 [RN]
Card-20(22)-enolide, 16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
Neritaloside
(3β,5β,16β)-16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
[465-13-4] [RN]
16-Acetylstrospeside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 729.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 121.6±6.0 kJ/mol
    Flash Point: 229.4±26.4 °C
    Index of Refraction: 1.578
    Molar Refractivity: 151.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.91
    ACD/KOC (pH 5.5): 327.47
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.91
    ACD/KOC (pH 7.4): 327.47
    Polar Surface Area: 141 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 56.7±5.0 dyne/cm
    Molar Volume: 455.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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