ChemSpider 2D Image | S-{(2E)-3-[(E)-(2,2-Dihydroxyethylidene)amino]-2-[(5,5-dihydroxy-4-iminopentanoyl)amino]-3-hydroxy-2-propen-1-yl} benzenesulfonothioate | C16H21N3O8S2

S-{(2E)-3-[(E)-(2,2-Dihydroxyethylidene)amino]-2-[(5,5-dihydroxy-4-iminopentanoyl)amino]-3-hydroxy-2-propen-1-yl} benzenesulfonothioate

  • Molecular FormulaC16H21N3O8S2
  • Average mass447.483 Da
  • Monoisotopic mass447.076996 Da
  • ChemSpider ID95755363

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzènesulfonothioate de S-{(2E)-3-[(E)-(2,2-dihydroxyéthylidène)amino]-2-[(5,5-dihydroxy-4-iminopentanoyl)amino]-3-hydroxy-2-propén-1-yle} [French] [ACD/IUPAC Name]
Benzenesulfonothioic acid, S-[(2E)-3-[[(1E)-2,2-dihydroxyethylidene]amino]-2-[(5,5-dihydroxy-4-imino-1-oxopentyl)amino]-3-hydroxy-2-propen-1-yl] ester [ACD/Index Name]
S-{(2E)-3-[(E)-(2,2-Dihydroxyethyliden)amino]-2-[(5,5-dihydroxy-4-iminopentanoyl)amino]-3-hydroxy-2-propen-1-yl}-benzolsulfonothioat [German] [ACD/IUPAC Name]
S-{(2E)-3-[(E)-(2,2-Dihydroxyethylidene)amino]-2-[(5,5-dihydroxy-4-iminopentanoyl)amino]-3-hydroxy-2-propen-1-yl} benzenesulfonothioate [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.42
Polar Surface Area: 234 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

Click to predict properties on the Chemicalize site


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