ChemSpider 2D Image | 3-[(2,4-Di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide | C34H48O11

3-[(2,4-Di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide

  • Molecular FormulaC34H48O11
  • Average mass632.738 Da
  • Monoisotopic mass632.319641 Da
  • ChemSpider ID2300958

More details:






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

3-[(2,4-Di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
3-[(2,4-Di-O-acetyl-6-desoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-[(2,4-Di-O-acétyl-6-désoxy-3-O-méthylhexopyranosyl)oxy]-14-hydroxy-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,4-di-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-7,8-epoxy-14-hydroxy- [ACD/Index Name]
4-19-00-02798 [Beilstein]
4988-26-5 [RN]
Acetyltanghinin
Tanghinin, acetyl-

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

BRN 0075120 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 225.0±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.05
ACD/KOC (pH 5.5): 1058.73
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.05
ACD/KOC (pH 7.4): 1058.73
Polar Surface Area: 139 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 482.3±5.0 cm3

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