ChemSpider 2D Image | fusidic acid | C31H48O6

fusidic acid

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID2271900
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


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Featured data source



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

(2Z)-2-[(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid
(2Z)-2-[(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid
(3a,4a,8a,9b,11a,13a,14b,16b,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic Acid
(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oic acid [ACD/IUPAC Name]
(3α,4α,5α,8α,9β,13α,14β,16β,17Z)-16-Acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-säure [German] [ACD/IUPAC Name]
1431
230-256-0 [EINECS]
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000132 [DBID]
AIDS-000132 [DBID]
C06694 [DBID]
DXA [DBID]
F0756_SIAL [DBID]
NSC 56192 [DBID]
NSC56192 [DBID]
Prestwick0_000390 [DBID]
Prestwick1_000390 [DBID]
SPBio_002500 [DBID]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 197.7±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 688.79
ACD/KOC (pH 5.5): 1441.59
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 12.45
ACD/KOC (pH 7.4): 26.05
Polar Surface Area: 104 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 443.4±5.0 cm3

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