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Search term: UGXGYKKZKHIUJW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-4-{[(2-Aminoethyl)carbamoyl]oxy}-N-(2-formyl-3-indolizinyl)-3-sulfino-D-valine | C17H22N4O7S

(3R)-4-{[(2-Aminoethyl)carbamoyl]oxy}-N-(2-formyl-3-indolizinyl)-3-sulfino-D-valine

  • Molecular FormulaC17H22N4O7S
  • Average mass426.444 Da
  • Monoisotopic mass426.120911 Da
  • ChemSpider ID25058897

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
(3R)-4-{[(2-Aminoethyl)carbamoyl]oxy}-N-(2-formyl-3-indolizinyl)-3-sulfino-D-valin [German] [ACD/IUPAC Name]
(3R)-4-{[(2-Aminoethyl)carbamoyl]oxy}-N-(2-formyl-3-indolizinyl)-3-sulfino-D-valine [ACD/IUPAC Name]
(3R)-4-{[(2-Aminoéthyl)carbamoyl]oxy}-N-(2-formyl-3-indolizinyl)-3-sulfino-D-valine [French] [ACD/IUPAC Name]
D-Homoserine, O-[[(2-aminoethyl)amino]carbonyl]-N-(2-formyl-3-indolizinyl)-3-methyl-3-sulfino-, (3R)- [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: 1.676
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 75.1±7.0 dyne/cm
Molar Volume: 272.6±7.0 cm3

Click to predict properties on the Chemicalize site


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