ChemSpider 2D Image | SQ-26992 | C13H19N5O9S2

SQ-26992

  • Molecular FormulaC13H19N5O9S2
  • Average mass453.448 Da
  • Monoisotopic mass453.062408 Da
  • ChemSpider ID64884524

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoic acid [ACD/IUPAC Name]
2-{[(2Z)-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 2-{[(2Z)-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-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-3-(sulfoamino)- [ACD/Index Name]
SQ-26992
7O397SYG7R
87500-74-1 [RN]

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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