ChemSpider 2D Image | (2S)-2-Amino-6-{4-[(2R)-2-amino-2-carboxyethyl]-3-[(3R)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}hexanoate | C18H28N4O7

(2S)-2-Amino-6-{4-[(2R)-2-amino-2-carboxyethyl]-3-[(3R)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}hexanoate

  • Molecular FormulaC18H28N4O7
  • Average mass412.438 Da
  • Monoisotopic mass412.195801 Da
  • ChemSpider ID78475025

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-6-{4-[(2R)-2-amino-2-carboxyethyl]-3-[(3R)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}hexanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(2R)-2-amino-2-carboxyethyl]-3-[(3R)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}hexanoate [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(2R)-2-amino-2-carboxyéthyl]-3-[(3R)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}hexanoate [French] [ACD/IUPAC Name]
L-Norleucine, 6-[4-[(2R)-2-amino-2-carboxyethyl]-3-[(3R)-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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