ChemSpider 2D Image | (2S)-2-Amino-6-{4-[(4S)-4-amino-4-carboxy(1,1-~2~H_2_)butyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl](~2~H_2_)-1-pyridiniumyl}hexanoate | C24H35D4N5O8

(2S)-2-Amino-6-{4-[(4S)-4-amino-4-carboxy(1,1-2H2)butyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl](2H2)-1-pyridiniumyl}hexanoate

  • Molecular FormulaC24H35D4N5O8
  • Average mass529.620 Da
  • Monoisotopic mass529.304993 Da
  • ChemSpider ID77498782

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Amino-6-{4-[(4S)-4-amino-4-carboxy(1,1-2H2)butyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl](2H2)-1-pyridiniumyl}hexanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(4S)-4-amino-4-carboxy(1,1-2H2)butyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl](2H2)-1-pyridiniumyl}hexanoate [ACD/IUPAC Name]
(2S)-2-Amino-6-{4-[(4S)-4-amino-4-carboxy(1,1-2H2)butyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl](2H2)-1-pyridiniumyl}hexanoate [French] [ACD/IUPAC Name]
L-Norleucine, 6-[4-[(4S)-4-amino-4-carboxybutyl-1,1-d2]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinio-2,6-d2]-, 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: 13
#H bond donors: 12
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -7.26
ACD/LogD (pH 5.5): -9.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability:
Surface Tension:
Molar Volume:

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