Home > Compound List > Compound details
39994-70-2 molecular structure
click picture or here to close

ethyl (2R,3R)-2-amino-3-hydroxybutanoate hydrochloride

ChemBase ID: 797099
Molecular Formular: C6H14ClNO3
Molecular Mass: 183.63326
Monoisotopic Mass: 183.06622099
SMILES and InChIs

SMILES:
Cl.C(=O)([C@@H]([C@@H](C)O)N)OCC
Canonical SMILES:
CCOC(=O)[C@@H]([C@H](O)C)N.Cl
InChI:
InChI=1S/C6H13NO3.ClH/c1-3-10-6(9)5(7)4(2)8;/h4-5,8H,3,7H2,1-2H3;1H/t4-,5-;/m1./s1
InChIKey:
WHKKNTASOQMDMH-TYSVMGFPSA-N

Cite this record

CBID:797099 http://www.chembase.cn/molecule-797099.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (2R,3R)-2-amino-3-hydroxybutanoate hydrochloride
IUPAC Traditional name
ethyl (2R,3R)-2-amino-3-hydroxybutanoate hydrochloride
Synonyms
(2S,3R)-Ethyl 2-aMino-3-hydroxybutanoate hydrochloride
CAS Number
39994-70-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5771 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5771 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.668824  H Acceptors
H Donor LogD (pH = 5.5) -2.1075575 
LogD (pH = 7.4) -0.8240867  Log P -0.70634425 
Molar Refractivity 35.9775 cm3 Polarizability 14.742162 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle