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3792-50-5 molecular structure
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sodium 2-amino-3-carboxypropanoate

ChemBase ID: 797572
Molecular Formular: C4H6NNaO4
Molecular Mass: 155.08451
Monoisotopic Mass: 155.01945196
SMILES and InChIs

SMILES:
NC(CC(=O)O)C(=O)[O-].[Na+]
Canonical SMILES:
OC(=O)CC(C(=O)[O-])N.[Na+]
InChI:
InChI=1S/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKey:
WTWSHHITWMVLBX-UHFFFAOYSA-M

Cite this record

CBID:797572 http://www.chembase.cn/molecule-797572.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 2-amino-3-carboxypropanoate
IUPAC Traditional name
sodium 2-amino-3-carboxypropanoate
Synonyms
Sodium L-aspartate
CAS Number
3792-50-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O8307 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O8307 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7025436  H Acceptors
H Donor LogD (pH = 5.5) -4.018386 
LogD (pH = 7.4) -5.749634  Log P -3.5037527 
Molar Refractivity 37.3698 cm3 Polarizability 10.777578 Å3
Polar Surface Area 103.45 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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