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Search term: ZSPXGPFQNYXKDF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | bound formanguinomycin a | C31H48O7

bound formanguinomycin a

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID35035693

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-Dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-2,10,12,16,18-tetracosapentaendisäure [German] [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-Dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-2,10,12,16,18-tetracosapentaenedioic acid [ACD/IUPAC Name]
2,10,12,16,18-Tetracosapentaenedioic acid, 6,20-dihydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-, (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)- [ACD/Index Name]
Acide (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R)-6,20-dihydroxy-3,5,7,9,11,15,17-heptaméthyl-8-oxo-2,10,12,16,18-tétracosapentaènedioïque [French] [ACD/IUPAC Name]
bound formanguinomycin a

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

Density: 1.1±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 413.4±29.4 °C
Index of Refraction: 1.529
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 36.05
ACD/KOC (pH 5.5): 174.16
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 491.4±3.0 cm3

Click to predict properties on the Chemicalize site


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