ChemSpider 2D Image | (3R)-N-(7-Carbamoyl-2-formyl-3-indolizinyl)-4-(carbamoyloxy)-3-sulfino-D-valine | C16H18N4O8S

(3R)-N-(7-Carbamoyl-2-formyl-3-indolizinyl)-4-(carbamoyloxy)-3-sulfino-D-valine

  • Molecular FormulaC16H18N4O8S
  • Average mass426.401 Da
  • Monoisotopic mass426.084534 Da
  • ChemSpider ID25059199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
(3R)-N-(7-Carbamoyl-2-formyl-3-indolizinyl)-4-(carbamoyloxy)-3-sulfino-D-valin [German] [ACD/IUPAC Name]
(3R)-N-(7-Carbamoyl-2-formyl-3-indolizinyl)-4-(carbamoyloxy)-3-sulfino-D-valine [ACD/IUPAC Name]
(3R)-N-(7-Carbamoyl-2-formyl-3-indolizinyl)-4-(carbamoyloxy)-3-sulfino-D-valine [French] [ACD/IUPAC Name]
D-Homoserine, O-(aminocarbonyl)-N-[7-(aminocarbonyl)-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: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 89.8±7.0 dyne/cm
Molar Volume: 245.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement