ChemSpider 2D Image | N-[(1E)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1-hydroxy-3-{[(7E,9E,11E,14E)-1,1,5-trihydroxy-1,7,9,11,14-icosapentaen-6-yl]sulfanyl}-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide | C30H47N3O9S

N-[(1E)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1-hydroxy-3-{[(7E,9E,11E,14E)-1,1,5-trihydroxy-1,7,9,11,14-icosapentaen-6-yl]sulfanyl}-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID95560484

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(1E)-1-[(E)-(2,2-Dihydroxyethyliden)amino]-1-hydroxy-3-{[(7E,9E,11E,14E)-1,1,5-trihydroxy-1,7,9,11,14-icosapentaen-6-yl]sulfanyl}-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamid [German] [ACD/IUPAC Name]
N-[(1E)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-1-hydroxy-3-{[(7E,9E,11E,14E)-1,1,5-trihydroxy-1,7,9,11,14-icosapentaen-6-yl]sulfanyl}-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide [ACD/IUPAC Name]
N-[(1E)-1-[(E)-(2,2-Dihydroxyéthylidène)amino]-1-hydroxy-3-{[(7E,9E,11E,14E)-1,1,5-trihydroxy-1,7,9,11,14-icosapentaén-6-yl]sulfanyl}-1-propén-2-yl]-5,5-dihydroxy-4-iminopentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[(E)-2-[[(1E)-2,2-dihydroxyethylidene]amino]-2-hydroxy-1-[[[(2E,4E,6E,9E)-1-(1,5,5-trihydroxy-4-penten-1-yl)-2,4,6,9-pentadecatetraen-1-yl]thio]methyl]ethenyl]-5,5-dihydroxy-4-imino- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 989.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.5±6.0 kJ/mol
Flash Point: 552.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 5.76
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 509.9±7.0 cm3

Click to predict properties on the Chemicalize site


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