ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide | C30H42O8

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID17347099

  • defined stereocentres - 5 of 12 defined stereocentres

More details:

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

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
Bufa-4,20,22-trienolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy- [ACD/Index Name]
3-(6-Deoxy-α-L-mannopyranosyloxyl)-14-hydroxybufa-4,20,22-trienolide
466-06-8 [RN]
PROSCILLARIDIN A
Scillarenin 3β-rhamnoside

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

P2428_SIGMA [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: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 232.6±26.4 °C
Index of Refraction: 1.620
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.16
ACD/KOC (pH 5.5): 845.07
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.16
ACD/KOC (pH 7.4): 845.07
Polar Surface Area: 126 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 396.8±5.0 cm3

Click to predict properties on the Chemicalize site


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