ChemSpider 2D Image | (2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-{(7E)-2-(dihydroxymethylene)-8-hydroxy-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-ylidene}-2-(methoxyimino)acetamide | C16H17N9O5S2

(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-{(7E)-2-(dihydroxymethylene)-8-hydroxy-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-ylidene}-2-(methoxyimino)acetamide

  • Molecular FormulaC16H17N9O5S2
  • Average mass479.493 Da
  • Monoisotopic mass479.079407 Da
  • ChemSpider ID95794223

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-{(7E)-2-(dihydroxymethylen)-8-hydroxy-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-yliden}-2-(methoxyimino)acetamid [German] [ACD/IUPAC Name]
(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-{(7E)-2-(dihydroxymethylene)-8-hydroxy-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-ylidene}-2-(methoxyimino)acetamide [ACD/IUPAC Name]
(2E)-2-(2-Amino-1,3-thiazol-4-yl)-N-{(7E)-2-(dihydroxyméthylène)-8-hydroxy-3-[(5-méthyl-2H-tétrazol-2-yl)méthyl]-5-thia-1-azabicyclo[4.2.0]oct-3-én-7-ylidène}-2-(méthoxyimino)acétamide [French] [ACD/IUPAC Name]
4-Thiazoleacetamide, 2-amino-N-[(7E)-2-(dihydroxymethylene)-8-hydroxy-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-en-7-ylidene]-α-(methoxyimino)-, (αE)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 787.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.8±35.7 °C
Index of Refraction: 1.901
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.38
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.26
Polar Surface Area: 251 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 98.4±7.0 dyne/cm
Molar Volume: 245.4±7.0 cm3

Click to predict properties on the Chemicalize site


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