ChemSpider 2D Image | N-[(Phenylmethoxy)carbonyl]-3-allyl-L-aspartic acid 1-tert-butyl ester | C19H25NO6

N-[(Phenylmethoxy)carbonyl]-3-allyl-L-aspartic acid 1-tert-butyl ester

  • Molecular FormulaC19H25NO6
  • Average mass363.405 Da
  • Monoisotopic mass363.168182 Da
  • ChemSpider ID23345853
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

144787-23-5 [RN]
2-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-tert-butoxy-2-oxoethyl]pent-4-enoic acid (non-preferred name)
2-{(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-pentenoic acid [ACD/IUPAC Name]
2-{(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-4-pentensäure [German] [ACD/IUPAC Name]
Acide 2-{(1S)-1-{[(benzyloxy)carbonyl]amino}-2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-4-penténoïque [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-3-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
N-[(Phenylmethoxy)carbonyl]-3-allyl-L-aspartic acid 1-tert-butyl ester
2-[(1S)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-(TERT-BUTOXY)-2-OXOETHYL]PENT-4-ENOIC ACID
L-aspartic acid,N-[(phenylmethoxy)carbonyl]-3-(2-propen-1-yl)-,1-(1,1-dimethylethyl) ester
n-((phenylmethoxy)carbonyl)-3-allyl-l-aspartic acid 1-tert-butyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 534.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.2±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 14.06
ACD/KOC (pH 5.5): 81.38
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 102 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 310.1±3.0 cm3

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