ChemSpider 2D Image | N~5~-(N,N'-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine | C21H38N4O8

N5-(N,N'-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine

  • Molecular FormulaC21H38N4O8
  • Average mass474.548 Da
  • Monoisotopic mass474.268951 Da
  • ChemSpider ID28567993

More details:

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

N2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N5-[(5E)-2,2,10,10-tétraméthyl-4,8-dioxo-3,9-dioxa-5,7-diazaundécan-6-ylidène]ornithine [French] [ACD/IUPAC Name]
N5-(N,N'-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithin [German] [ACD/IUPAC Name]
N5-(N,N'-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine [ACD/IUPAC Name]
Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(E)-[[(1,1-dimethylethoxy)carbonyl]amino][[(1,1-dimethylethoxy)carbonyl]imino]methyl]- [ACD/Index Name]
(S)-5-(2,3-Bis(tert-butoxycarbonyl)guanidino)-2-((tert-butoxycarbonyl)amino)pentanoic acid
(S,E)-5-(2,3-Bis(tert-butoxycarbonyl)guanidino)-2-((tert-butoxycarbonyl)amino)pentanoic acid
5-({BIS[(TERT-BUTOXYCARBONYL)AMINO]METHYLIDENE}AMINO)-2-[(TERT-BUTOXYCARBONYL)AMINO]PENTANOIC ACID
885110-90-7 [RN]
97745-69-2 [RN]
MFCD00236819 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 11.60
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 403.3±7.0 cm3

Click to predict properties on the Chemicalize site


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