Found 138 results

Search term: MF = 'C_{8}H_{11}N_{3}O_{6}S'
ChemSpider 2D Image | (2S,5R)-4-Methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide | C8H11N3O6S

(2S,5R)-4-Methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide

  • Molecular FormulaC8H11N3O6S
  • Average mass277.254 Da
  • Monoisotopic mass277.036865 Da
  • ChemSpider ID31105674

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-4-Methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-en-2-carboxamid [German] [ACD/IUPAC Name]
(2S,5R)-4-Methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide [ACD/IUPAC Name]
(2S,5R)-4-Méthyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ène-2-carboxamide [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, 4-methyl-7-oxo-6-(sulfooxy)-, (2S,5R)- [ACD/Index Name]
9CM

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -6.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 152.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement