ChemSpider 2D Image | 4-Oxo-4-[(17,24,25,26-tetrahydroxylanost-8-en-3-yl)oxy]butanoic acid | C34H56O8

4-Oxo-4-[(17,24,25,26-tetrahydroxylanost-8-en-3-yl)oxy]butanoic acid

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID34486039

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

4-Oxo-4-[(17,24,25,26-tetrahydroxylanost-8-en-3-yl)oxy]butanoic acid [ACD/IUPAC Name]
4-Oxo-4-[(17,24,25,26-tetrahydroxylanost-8-en-3-yl)oxy]butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-[(17,24,25,26-tétrahydroxylanost-8-én-3-yl)oxy]butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono(17,24,25,26-tetrahydroxylanost-8-en-3-yl) ester [ACD/Index Name]
194724-72-6 [RN]
Arundifungin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.8±6.0 kJ/mol
Flash Point: 220.9±26.4 °C
Index of Refraction: 1.565
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 458.91
ACD/KOC (pH 5.5): 1337.57
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 7.32
ACD/KOC (pH 7.4): 21.32
Polar Surface Area: 145 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 492.2±5.0 cm3

Click to predict properties on the Chemicalize site


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