ChemSpider 2D Image | (2S)-2-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxy(2,2,3,3-~2~H_4_)pentyl]-5-hydroxy-3-pyridiniumyl}butanoate | C18H24D4N4O7

(2S)-2-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxy(2,2,3,3-2H4)pentyl]-5-hydroxy-3-pyridiniumyl}butanoate

  • Molecular FormulaC18H24D4N4O7
  • Average mass416.462 Da
  • Monoisotopic mass416.220917 Da
  • ChemSpider ID117013097

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxy(2,2,3,3-2H4)pentyl]-5-hydroxy-3-pyridiniumyl}butanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxy(2,2,3,3-2H4)pentyl]-5-hydroxy-3-pyridiniumyl}butanoate [ACD/IUPAC Name]
(2S)-2-Amino-4-{4-[(2S)-2-amino-2-carboxyéthyl]-1-[(5S)-5-amino-5-carboxy(2,2,3,3-2H4)pentyl]-5-hydroxy-3-pyridiniumyl}butanoate [French] [ACD/IUPAC Name]
L-Norleucine-4,4,5,5-d4, 6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridinio]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -5.01
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability:
Surface Tension:
Molar Volume:

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