ChemSpider 2D Image | N-[(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide | C13H21N3O8S

N-[(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide

  • Molecular FormulaC13H21N3O8S
  • Average mass379.386 Da
  • Monoisotopic mass379.104950 Da
  • ChemSpider ID95676871

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(1Z)-1-[(E)-(2,2-Dihydroxyethyliden)amino]-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamid [German] [ACD/IUPAC Name]
N-[(1Z)-1-[(E)-(2,2-Dihydroxyethylidene)amino]-3-{[(1Z)-1,2-dihydroxy-1-propen-1-yl]sulfanyl}-1-hydroxy-1-propen-2-yl]-5,5-dihydroxy-4-iminopentanamide [ACD/IUPAC Name]
N-[(1Z)-1-[(E)-(2,2-Dihydroxyéthylidène)amino]-3-{[(1Z)-1,2-dihydroxy-1-propén-1-yl]sulfanyl}-1-hydroxy-1-propén-2-yl]-5,5-dihydroxy-4-iminopentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[(Z)-2-[[(1E)-2,2-dihydroxyethylidene]amino]-1-[[[(1Z)-1,2-dihydroxy-1-propen-1-yl]thio]methyl]-2-hydroxyethenyl]-5,5-dihydroxy-4-imino- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 400.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 240.0±7.0 cm3

Click to predict properties on the Chemicalize site


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