ChemSpider 2D Image | (2S,3S)-2-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoic acid | C13H19N5O9S2

(2S,3S)-2-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoic acid

  • Molecular FormulaC13H19N5O9S2
  • Average mass453.448 Da
  • Monoisotopic mass453.062408 Da
  • ChemSpider ID57464684

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoic acid [ACD/IUPAC Name]
(2S,3S)-2-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-(sulfoamino)butansäure [German] [ACD/IUPAC Name]
Acide (2S,3S)-2-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-(sulfoamino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-3-(sulfoamino)-, (2S,3S)- [ACD/Index Name]
2-({[(1z)-1-(2-Amino-1,3-Thiazol-4-Yl)-2-Oxo-2-{[(2s,3s)-1-Oxo-3-(Sulfoamino)butan-2-Yl]amino}ethylidene]amino}oxy)-2-Methylpropanoic Acid
2-[[(2-AMINO-1,3-THIAZOL-4-YL)-[[(1S,2S)-1-CARBOXY-2-(SULFOAMINO)PROPYL]CARBAMOYL]METHYLIDENE]AMINO]OXY-2-METHYL-PROPANOIC ACID
AZR

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: 1.690
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -6.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

Click to predict properties on the Chemicalize site


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