ChemSpider 2D Image | N~2~-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N~5~-(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)-L-ornithine | C31H40N4O8

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N5-(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)-L-ornithine

  • Molecular FormulaC31H40N4O8
  • Average mass596.671 Da
  • Monoisotopic mass596.284607 Da
  • ChemSpider ID10140430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Ornithine, N5-[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N5-(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-yliden)-L-ornithin [German] [ACD/IUPAC Name]
N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N5-(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)-L-ornithine [ACD/IUPAC Name]
N2-[(9H-Fluorén-9-ylméthoxy)carbonyl]-N5-(2,2,10,10-tétraméthyl-4,8-dioxo-3,9-dioxa-5,7-diazaundécan-6-ylidène)-L-ornithine [French] [ACD/IUPAC Name]
(2S)-5-({BIS[(TERT-BUTOXYCARBONYL)AMINO]METHYLIDENE}AMINO)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PENTANOIC ACID
(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
(2S)-5-{[(1Z)-[(TERT-BUTOXYCARBONYL)AMINO][(TERT-BUTOXYCARBONYL)IMINO]METHYL]AMINO}-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}PENTANOIC ACID
(2S)-5-{[(1Z)-{[(TERT-BUTOXY)CARBONYL]AMINO}({[(TERT-BUTOXY)CARBONYL]IMINO})METHYL]AMINO}-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)PENTANOIC ACID
(2S)-5-{[BIS({[(TERT-BUTOXY)CARBONYL]AMINO})METHYLIDENE]AMINO}-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)PENTANOIC ACID
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino)pentanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 69.37
ACD/KOC (pH 5.5): 187.16
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 5.95
Polar Surface Area: 165 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 475.3±7.0 cm3

Click to predict properties on the Chemicalize site


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