ChemSpider 2D Image | BAL30072 | C16H18N6O10S2

BAL30072

  • Molecular FormulaC16H18N6O10S2
  • Average mass518.478 Da
  • Monoisotopic mass518.052551 Da
  • ChemSpider ID26367143
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-[(3S)-2,2-dimethyl-4-oxo-1-(sulfooxy)-3-azetidinyl]acetamid [German] [ACD/IUPAC Name]
(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-[(3S)-2,2-dimethyl-4-oxo-1-(sulfooxy)-3-azetidinyl]acetamide [ACD/IUPAC Name]
(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)méthoxy]imino}-N-[(3S)-2,2-diméthyl-4-oxo-1-(sulfooxy)-3-azétidinyl]acétamide [French] [ACD/IUPAC Name]
4-Thiazoleacetamide, 2-amino-α-[[(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)methoxy]imino]-N-[(3S)-2,2-dimethyl-4-oxo-1-(sulfooxy)-3-azetidinyl]-, (αZ)- [ACD/Index Name]
941285-15-0 [RN]
BAL30072
LY97ZJM4QX
UNII:LY97ZJM4QX
UNII-LY97ZJM4QX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.772
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 93.4±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

Click to predict properties on the Chemicalize site






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