ChemSpider 2D Image | (2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}-5-hydroxyhexanoate (non-preferred name) | C18H28N4O8

(2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}-5-hydroxyhexanoate (non-preferred name)

  • Molecular FormulaC18H28N4O8
  • Average mass428.437 Da
  • Monoisotopic mass428.190704 Da
  • ChemSpider ID58782667

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}-5-hydroxyhexanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}-5-hydroxyhexanoate (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(2S)-2-amino-2-carboxyéthyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxy-1-pyridiniumyl}-5-hydroxyhexanoate (non-preferred name) [French] [ACD/IUPAC Name]
L-Norleucine, 6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridinio]-5-hydroxy-, 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: 12
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -5.75
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement