ChemSpider 2D Image | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzenesulfonamide | C14H16N2O8S2

N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzenesulfonamide

  • Molecular FormulaC14H16N2O8S2
  • Average mass404.415 Da
  • Monoisotopic mass404.034790 Da
  • ChemSpider ID58107957

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]- [ACD/Index Name]
N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-yliden]benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzenesulfonamide [ACD/IUPAC Name]
N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxyméthyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]déc-2-ylidène]benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.770
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.39
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 90.6±7.0 dyne/cm
Molar Volume: 214.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement