ChemSpider 2D Image | (4S)-1-[(Benzyloxy)carbonyl]-4-{[(benzyloxy)carbonyl]amino}-L-proline | C21H22N2O6

(4S)-1-[(Benzyloxy)carbonyl]-4-{[(benzyloxy)carbonyl]amino}-L-proline

  • Molecular FormulaC21H22N2O6
  • Average mass398.409 Da
  • Monoisotopic mass398.147797 Da
  • ChemSpider ID23960722

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-[(Benzyloxy)carbonyl]-4-{[(benzyloxy)carbonyl]amino}-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(Benzyloxy)carbonyl]-4-{[(benzyloxy)carbonyl]amino}-L-proline [ACD/IUPAC Name]
(4S)-1-[(Benzyloxy)carbonyl]-4-{[(benzyloxy)carbonyl]amino}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-1-((Benzyloxy)carbonyl)-4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylic acid
(2s,4s)-cbz-4-(cbz-amino)proline
(2S,4S)-CBZ-4-(CBZ-AMINO)-PROLINE
29475-98-7 [RN]
MFCD09954293 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 21.81
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 293.9±5.0 cm3

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