Found 1 result

Search term: 17627956 (Found by CSID)
ChemSpider 2D Image | 4-{6,13-Dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}butanoic acid | C37H59N3O8

4-{6,13-Dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}butanoic acid

  • Molecular FormulaC37H59N3O8
  • Average mass673.880 Da
  • Monoisotopic mass673.430237 Da
  • ChemSpider ID17627956

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Oxa-4,8,11-triazacyclotetradecane-3-butanoic acid, 6,13-dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxo-5,7-heptadecadien-1-yl]- [ACD/Index Name]
4-{6,13-Dimethyl-10-methylen-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}butansäure [German] [ACD/IUPAC Name]
4-{6,13-Dimethyl-10-methylene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxo-5,7-heptadecadien-1-yl]-1-oxa-4,8,11-triazacyclotetradecan-3-yl}butanoic acid [ACD/IUPAC Name]
Acide 4-{6,13-diméthyl-10-méthylène-2,5,9,12-tétraoxo-14-[(5E,7E)-3,7,11-triméthyl-4-oxo-5,7-heptadécadién-1-yl]-1-oxa-4,8,11-triazacyclotétradécan-3-yl}butanoïque [French] [ACD/IUPAC Name]
Fusaristatin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 938.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.1±6.0 kJ/mol
Flash Point: 521.5±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 185.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 240.21
ACD/KOC (pH 5.5): 1001.01
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.80
ACD/KOC (pH 7.4): 15.85
Polar Surface Area: 168 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 604.3±5.0 cm3

Click to predict properties on the Chemicalize site


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