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30811-79-1 molecular structure
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4-amino-5-oxo-5-(sodiooxy)pentanoic acid

ChemBase ID: 137502
Molecular Formular: C5H8NNaO4
Molecular Mass: 169.11109
Monoisotopic Mass: 169.03510202
SMILES and InChIs

SMILES:
C(CC(=O)O)C(C(=O)O[Na])N
Canonical SMILES:
NC(C(=O)O[Na])CCC(=O)O
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
InChIKey:
LPUQAYUQRXPFSQ-UHFFFAOYSA-M

Cite this record

CBID:137502 http://www.chembase.cn/molecule-137502.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-5-oxo-5-(sodiooxy)pentanoic acid
IUPAC Traditional name
4-amino-5-oxo-5-(sodiooxy)pentanoic acid
Synonyms
Poly-L-glutamic acid sodium salt
Poly-D-glutamic acid sodium salt
聚-L-谷氨酸 钠盐
聚-D-谷氨酸 钠盐
CAS Number
30811-79-1
26247-79-0
MDL Number
MFCD00081868
PubChem SID
162231764
PubChem CID
23677676

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23677676 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.2983515  H Acceptors
H Donor LogD (pH = 5.5) -3.401961 
LogD (pH = 7.4) -3.6177669  Log P -3.403682 
Molar Refractivity 30.3601 cm3 Polarizability 14.584113 Å3
Polar Surface Area 89.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Mol. Weight
average Mv 2,000-15,000 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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