ChemSpider 2D Image | (3R)-N-(2-Formyl-3-indolizinyl)-4-(2-phenylacetoxy)-3-sulfino-D-valine | C22H22N2O7S

(3R)-N-(2-Formyl-3-indolizinyl)-4-(2-phenylacetoxy)-3-sulfino-D-valine

  • Molecular FormulaC22H22N2O7S
  • Average mass458.484 Da
  • Monoisotopic mass458.114777 Da
  • ChemSpider ID35033547

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N-(2-Formyl-3-indolizinyl)-4-(2-phenylacetoxy)-3-sulfino-D-valin [German] [ACD/IUPAC Name]
(3R)-N-(2-Formyl-3-indolizinyl)-4-(2-phenylacetoxy)-3-sulfino-D-valine [ACD/IUPAC Name]
(3R)-N-(2-Formyl-3-indolizinyl)-4-(2-phénylacétoxy)-3-sulfino-D-valine [French] [ACD/IUPAC Name]
(3r)-N-(2-Formylindolizin-3-Yl)-4-[(Phenylacetyl)oxy]-3-Sulfino-D-Valine
D-Homoserine, N-(2-formyl-3-indolizinyl)-3-methyl-O-(2-phenylacetyl)-3-sulfino-, (3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 322.9±7.0 cm3

Click to predict properties on the Chemicalize site


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