ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C30H46O8

(3β,5β,8ξ,9ξ)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID4978400

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(6-Desoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(6-Désoxy-3-O-méthyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β,8ξ,9ξ)- [ACD/Index Name]
(5β)-3β-((6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
(5β)-3β-((6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
4-18-00-01486 (Beilstein Handbook Reference) [Beilstein]
Card-20(22)-enolide,3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)-
NERIIFOLIN

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

AIDS126724 [DBID]
AIDS-126724 [DBID]
NSC123976 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 224.9±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.42
ACD/KOC (pH 5.5): 419.80
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.42
ACD/KOC (pH 7.4): 419.80
Polar Surface Area: 115 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 419.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement