ChemSpider 2D Image | ({[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid | C7H11BN4O4S

({[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid

  • Molecular FormulaC7H11BN4O4S
  • Average mass258.063 Da
  • Monoisotopic mass258.059418 Da
  • ChemSpider ID58109434

  • Double-bond stereo - Double-bond stereo

More details:

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

({[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)boronic acid [ACD/IUPAC Name]
({[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)borsäure [German] [ACD/IUPAC Name]
Acide ({[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}méthyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]methyl]- [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: 1.645
Molar Refractivity: 59.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.45
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.25
Polar Surface Area: 158 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 164.7±7.0 cm3

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