ChemSpider 2D Image | (3R)-4-[2-(3,4-Dihydroxyphenyl)acetoxy]-N-(2-formyl-3-indolizinyl)-3-sulfinovaline | C22H22N2O9S

(3R)-4-[2-(3,4-Dihydroxyphenyl)acetoxy]-N-(2-formyl-3-indolizinyl)-3-sulfinovaline

  • Molecular FormulaC22H22N2O9S
  • Average mass490.483 Da
  • Monoisotopic mass490.104614 Da
  • ChemSpider ID25058472

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-4-[2-(3,4-Dihydroxyphenyl)acetoxy]-N-(2-formyl-3-indolizinyl)-3-sulfinovalin [German] [ACD/IUPAC Name]
(3R)-4-[2-(3,4-Dihydroxyphenyl)acetoxy]-N-(2-formyl-3-indolizinyl)-3-sulfinovaline [ACD/IUPAC Name]
(3R)-4-[2-(3,4-Dihydroxyphényl)acétoxy]-N-(2-formyl-3-indolizinyl)-3-sulfinovaline [French] [ACD/IUPAC Name]
(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Homoserine, O-[2-(3,4-dihydroxyphenyl)acetyl]-N-(2-formyl-3-indolizinyl)-3-methyl-3-sulfino-, (3R)- [ACD/Index Name]
(2S,3R)-4-{[2-(3,4-dihydroxyphenyl)acetyl]oxy}-2-[(2-formylindolizin-3-yl)amino]-3-methyl-3-[(S)-sulfino]butanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 317.4±7.0 cm3

Click to predict properties on the Chemicalize site


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