Found 5 results

Search term: GENAAYFYLGYPIQ-YPMJEBJESA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E,10E,12E)-20-{[3-(Carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-icosatrienoic acid | C30H48N2O7

(2E,10E,12E)-20-{[3-(Carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-icosatrienoic acid

  • Molecular FormulaC30H48N2O7
  • Average mass548.711 Da
  • Monoisotopic mass548.346130 Da
  • ChemSpider ID4948238

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,10E,12E)-20-{[3-(Carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylen-17-oxo-2,10,12-icosatriensäure [German] [ACD/IUPAC Name]
(2E,10E,12E)-20-{[3-(Carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-icosatrienoic acid [ACD/IUPAC Name]
2,10,12-Eicosatrienoic acid, 20-[[3-[(aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-, (2E,10E,12E)- [ACD/Index Name]
Acide (2E,10E,12E)-20-{[3-(carbamoyloxy)-2-méthylbutanoyl]amino}-19-hydroxy-3,5,15-triméthyl-7-méthylène-17-oxo-2,10,12-icosatriénoïque [French] [ACD/IUPAC Name]
(2E,10E,12E)-20-[3-(CARBAMOYLOXY)-2-METHYLBUTANAMIDO]-19-HYDROXY-3,5,15-TRIMETHYL-7-METHYLIDENE-17-OXOICOSA-2,10,12-TRIENOIC ACID
(2E,10E,12E)-20-{[3-(carbamoyloxy)-2-methylbutanoyl]amino}-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid
174513-95-2 [RN]
Kalimantacin A
Kalimantacin B
  • Miscellaneous

    • Chemical Class:

      A fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. ChEBI CHEBI:66136

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

Density: 1.1±0.1 g/cm3
Boiling Point: 778.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.518
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 188.21
ACD/KOC (pH 5.5): 1057.48
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 19.72
Polar Surface Area: 156 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 503.5±3.0 cm3

Click to predict properties on the Chemicalize site


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