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6033-32-5 molecular structure
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(2S)-2-amino-6-hydroxyhexanoic acid

ChemBase ID: 3091
Molecular Formular: C6H13NO3
Molecular Mass: 147.17232
Monoisotopic Mass: 147.08954328
SMILES and InChIs

SMILES:
N[C@@H](CCCCO)C(=O)O
Canonical SMILES:
OCCCC[C@@H](C(=O)O)N
InChI:
InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChIKey:
OLUWXTFAPJJWPL-YFKPBYRVSA-N

Cite this record

CBID:3091 http://www.chembase.cn/molecule-3091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-6-hydroxyhexanoic acid
IUPAC Traditional name
6-hydroxy-L-norleucine
Synonyms
6-Hydroxy-L-Norleucine
6-Hydroxy-L-norleucine
(+)-L-ε-Hydroxynorleucine
(S)-2-Amino-6-hydroxyhexanoic Acid
L-α-Amino-ε-hydroxy-n-caproic Acid
L-ε-Hydroxynorleucine
L-Hexahomoserine
NSC 206290
L-6-Hydroxy Norleucine
CAS Number
6033-32-5
PubChem SID
46508093
160966535
PubChem CID
97725

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
H948858 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.4582765  H Acceptors
H Donor LogD (pH = 5.5) -2.866048 
LogD (pH = 7.4) -2.8687441  Log P -2.8659077 
Molar Refractivity 36.152 cm3 Polarizability 14.5027485 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.94  LOG S -0.16 
Solubility (Water) 1.01e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
238-241°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

DrugBank DrugBank TRC TRC
DrugBank - DB03412 external link
Drug information: experimental
Toronto Research Chemicals - H948858 external link
A key chiral intermediate used for synthesis of a vasopeptidase inhibitor.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kaufman, S., et al.: J. Biol. Chem., 257, 14667 (1982)
  • • Hanson, R., et al.: Bioorg. Chem., 18, 116 (1982)
  • • Oshima, T., et al.: J. Bacteriol., 173, 3943 (1982)
  • • Oshima, T., et al.: Eur. J. Biochem., 222, 305 (1982)
  • • Robl, J., et al.: J. Med. Chem., 40, 157
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PATENTS

PATENTS

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INTERNET

INTERNET

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