ChemSpider 2D Image | (3S,4S)-1-N-Cbz-3-(N-Boc-Amino)-4-hydroxymethylpyrrolidine | C18H26N2O5

(3S,4S)-1-N-Cbz-3-(N-Boc-Amino)-4-hydroxymethylpyrrolidine

  • Molecular FormulaC18H26N2O5
  • Average mass350.409 Da
  • Monoisotopic mass350.184174 Da
  • ChemSpider ID24721759

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-N-Cbz-3-(N-Boc-Amino)-4-hydroxymethylpyrrolidine
(3S,4S)-3-(Hydroxyméthyl)-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
246510-69-0 [RN]
benzyl (3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Benzyl-(3S,4S)-3-(hydroxymethyl)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3S,4S)-3-tert-Butoxycarbonylamino-4-hydroxymethyl-pyrrolidine-1-carboxylic acid benzyl ester
(3S,4S)-benzyl 3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
246510-67-8 [RN]
benzyl (3S,4S)-3-((tert-butoxycarbonyl)amino)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
Benzyl (3S,4S)-3-[(tert-butoxycarbonyl)amino]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.52
ACD/KOC (pH 5.5): 411.47
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.52
ACD/KOC (pH 7.4): 411.46
Polar Surface Area: 88 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


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