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
[465-13-4]
3β-O-(D-digitalosyl)-14β-hydroxy-16β-acetoxy-5β-carda-20(22)-enolide
MFCD01740131

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

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

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