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]benzamide | C15H16N2O7S

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]benzamide

  • Molecular FormulaC15H16N2O7S
  • Average mass368.362 Da
  • Monoisotopic mass368.067810 Da
  • ChemSpider ID35034065
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Benzamide, 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]benzamid [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]benzamide [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]benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.753
Molar Refractivity: 85.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 87.19
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 27.58
Polar Surface Area: 174 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 82.2±7.0 dyne/cm
Molar Volume: 208.0±7.0 cm3

Click to predict properties on the Chemicalize site






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