ChemSpider 2D Image | (2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate | C14H19N5O5S2

(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate

  • Molecular FormulaC14H19N5O5S2
  • Average mass401.461 Da
  • Monoisotopic mass401.082764 Da
  • ChemSpider ID62564173

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylat [German] [ACD/IUPAC Name]
(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate [ACD/IUPAC Name]
(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-2-oxoéthyl]-5,5-diméthyl-1,3-thiazolidin-3-ium-4-carboxylate [French] [ACD/IUPAC Name]
(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-2-[(1R)-1-{[(2E)-2-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1R)-1-[[(2E)-2-(2,3-dihydro-2-imino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-oxoethyl]-5,5-dimethyl-, (2S,4S)- [ACD/Index Name]
Acide (2S,4S)-2-[(1R)-1-{[(2E)-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-2-oxoéthyl]-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
Thiazolidinium, 2-[(1R)-1-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-oxoethyl]-4-carboxy-5,5-dimethyl-, inner salt, (2S,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 243.9±7.0 cm3

Click to predict properties on the Chemicalize site


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