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71555-10-7 molecular structure
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(2S)-2,6-diaminohexanoic acid; (2S)-2-hydroxybutanedioic acid

ChemBase ID: 172344
Molecular Formular: C10H20N2O7
Molecular Mass: 280.275
Monoisotopic Mass: 280.12705099
SMILES and InChIs

SMILES:
[C@@H](CCCCN)(N)C(=O)O.C([C@H](O)C(=O)O)C(=O)O
Canonical SMILES:
OC(=O)C[C@@H](C(=O)O)O.NCCCC[C@@H](C(=O)O)N
InChI:
InChI=1S/C6H14N2O2.C4H6O5/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2,5H,1H2,(H,6,7)(H,8,9)/t5-;2-/m00/s1
InChIKey:
NWZSZGALRFJKBT-KNIFDHDWSA-N

Cite this record

CBID:172344 http://www.chembase.cn/molecule-172344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2,6-diaminohexanoic acid; (2S)-2-hydroxybutanedioic acid
IUPAC Traditional name
(-)-malic acid; L-lysine
Synonyms
L-Lysine (2S)-2-Hydroxybutanedioate
(S)-Hydroxybutanedioic Acid compd. with L-Lysine
L-Lysine L-Malate
CAS Number
71555-10-7
PubChem SID
164228254
PubChem CID
71749819

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC L468910 external link Add to cart
PubChem 71749819 external link
Data Source Data ID Price
TRC
L468910 external link Add to cart Please log in.
Data Source Data ID
PubChem 71749819 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7382863  H Acceptors
H Donor LogD (pH = 5.5) -5.9555907 
LogD (pH = 7.4) -4.978252  Log P -3.2145348 
Molar Refractivity 37.8095 cm3 Polarizability 15.365045 Å3
Polar Surface Area 89.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - L468910 external link
L-Lysine L-Malate is used in the preparation of amino acid ionic liquids for use in food and medical field.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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