ChemSpider 2D Image | (5S,9R,10S)-10-Acetamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid | C16H23N3O5S

(5S,9R,10S)-10-Acetamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid

  • Molecular FormulaC16H23N3O5S
  • Average mass369.436 Da
  • Monoisotopic mass369.135834 Da
  • ChemSpider ID35034762

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2e,5s,9r,10s)-10-(Acetylamino)-2-Imino-4-Oxo-9-(Pentan-3-Yloxy)-1-Thia-3-Azaspiro[4.5]dec-6-Ene-7-Carboxylic Acid
(5S,9R,10S)-10-Acetamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]dec-6-en-7-carbonsäure [German] [ACD/IUPAC Name]
(5S,9R,10S)-10-Acetamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid [ACD/IUPAC Name]
1-Thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, 10-(acetylamino)-9-(1-ethylpropoxy)-2-imino-4-oxo-, (5S,9R,10S)- [ACD/Index Name]
Acide (5S,9R,10S)-10-acétamido-2-imino-4-oxo-9-(3-pentanyloxy)-1-thia-3-azaspiro[4.5]déc-6-ène-7-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 252.2±7.0 cm3

Click to predict properties on the Chemicalize site


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