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6106-04-3 molecular structure
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sodium (4S)-4-amino-4-carboxybutanoate hydrate

ChemBase ID: 136983
Molecular Formular: C5H10NNaO5
Molecular Mass: 187.12637
Monoisotopic Mass: 187.04566671
SMILES and InChIs

SMILES:
C(CC(=O)[O-])[C@@H](C(=O)O)N.O.[Na+]
Canonical SMILES:
[O-]C(=O)CC[C@@H](C(=O)O)N.O.[Na+]
InChI:
InChI=1S/C5H9NO4.Na.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
InChIKey:
GJBHGUUFMNITCI-QTNFYWBSSA-M

Cite this record

CBID:136983 http://www.chembase.cn/molecule-136983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (4S)-4-amino-4-carboxybutanoate hydrate
IUPAC Traditional name
sodium (4S)-4-amino-4-carboxybutanoate hydrate
Synonyms
MSG
L-2-Aminopentanedioic acid
Sodium L-glutamate
L-Glutamic acid monosodium salt monohydrate
Monosodium glutamate monohydrate
L-2-氨基戊二酸
L-谷氨酸钠
L-谷氨酸 单钠盐 一水合物
L-谷氨酸单钠盐酸盐单水合物
CAS Number
6106-04-3
EC Number
205-538-1
MDL Number
MFCD00150138
Beilstein Number
4164348
PubChem SID
24895106
162231250
24872697
PubChem CID
23689119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23689119 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
228°C dec. expand Show data source
232 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D +21.6°, c = 1 in 6 M HCl expand Show data source
[α]20/D -4.2±0.3°, c = 1.2% in H2O expand Show data source
+22 (c=1 in 6N HCl) expand Show data source
RTECS
MA1578000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (NT) expand Show data source
≥99.0% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
SAJ special grade expand Show data source
Quality Level
PREMIUM expand Show data source
Linear Formula
NaOOCCH2CH2CH(NH2)COOH · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 49621 external link
Packaging
1 kg in poly bottle
250 g in poly bottle
Sigma Aldrich - G2834 external link
Packaging
1 kg in poly bottle
100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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