Home > Compound List > Compound details
142-47-2 molecular structure
click picture or here to close

sodium (4S)-4-amino-4-carboxybutanoate

ChemBase ID: 102468
Molecular Formular: C5H8NNaO4
Molecular Mass: 169.11109
Monoisotopic Mass: 169.03510202
SMILES and InChIs

SMILES:
[Na+].N[C@@H](CCC(=O)[O-])C(=O)O
Canonical SMILES:
[O-]C(=O)CC[C@@H](C(=O)O)N.[Na+]
InChI:
InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1
InChIKey:
LPUQAYUQRXPFSQ-DFWYDOINSA-M

Cite this record

CBID:102468 http://www.chembase.cn/molecule-102468.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (4S)-4-amino-4-carboxybutanoate
IUPAC Traditional name
sodium (4S)-4-amino-4-carboxybutanoate
Synonyms
(S)-2-Aminopentanedioic acid
L-Glutamic acid monosodium salt
Glu
Monosodium glutamate
MSG
L-GLUTAMIC ACID MONOSODIUM SALT
CAS Number
142-47-2
EC Number
205-538-1
PubChem SID
162089915
PubChem CID
23676143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23676143 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8777773  H Acceptors
H Donor LogD (pH = 5.5) -4.4458017 
LogD (pH = 7.4) -6.180975  Log P -3.241447 
Molar Refractivity 42.1248 cm3 Polarizability 12.57248 Å3
Polar Surface Area 103.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
232°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
MA1575000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Purity
≥99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02194677 external link
Cell Culture Reagent
Purity: 99+%
Monosodium Salt
MP Biomedicals - 02101800 external link
Monosodium Salt
Purity: 99+%
Crystalline

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