ChemSpider 2D Image | (4S)-4-{[(Benzyloxy)carbonyl]amino}-5-isopropoxy-5-oxopentanoic acid | C16H21NO6

(4S)-4-{[(Benzyloxy)carbonyl]amino}-5-isopropoxy-5-oxopentanoic acid

  • Molecular FormulaC16H21NO6
  • Average mass323.341 Da
  • Monoisotopic mass323.136902 Da
  • ChemSpider ID24534004

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-{[(Benzyloxy)carbonyl]amino}-5-isopropoxy-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-{[(Benzyloxy)carbonyl]amino}-5-isopropoxy-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (4S)-4-{[(benzyloxy)carbonyl]amino}-5-isopropoxy-5-oxopentanoïque [French] [ACD/IUPAC Name]
Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-(1-methylethyl) ester [ACD/Index Name]
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 1-(1-methylethyl) ester
(4S)-4-{[(BENZYLOXY)CARBONYL]AMINO}-5-OXO-5-(PROPAN-2-YLOXY)PENTANOIC ACID
(S)-4-(((Benzyloxy)carbonyl)amino)-5-isopropoxy-5-oxopentanoic acid
(S)-4-(benzyloxycarbonylamino)-5-isopropoxy-5-oxopentanoic acid
88815-54-7 [RN]
L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-,1-(1-methylethyl) ester
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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: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 59.32
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 265.5±3.0 cm3

Click to predict properties on the Chemicalize site


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