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5692-15-9 molecular structure
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2-amino-3-hydroxy(1,2,3-14C3)propanoic acid

ChemBase ID: 131435
Molecular Formular: C3H7NO3
Molecular Mass: 111.07020597
Monoisotopic Mass: 111.05231906
SMILES and InChIs

SMILES:
[14CH2]([14CH]([14C](=O)O)N)O
Canonical SMILES:
O[14CH2][14CH]([14C](=O)O)N
InChI:
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/i1+2,2+2,3+2
InChIKey:
MTCFGRXMJLQNBG-FIXSIXJRSA-N

Cite this record

CBID:131435 http://www.chembase.cn/molecule-131435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-hydroxy(1,2,3-14C3)propanoic acid
IUPAC Traditional name
2-amino-3-hydroxy(1,2,3-14C3)propanoic acid
Synonyms
(S)-(+)-Serine-UL-14C
L-Serine-UL-14C hydrochloride
CAS Number
5692-15-9
MDL Number
MFCD00069584
PubChem SID
24899858
162225713
PubChem CID
16219990

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
S9771 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219990 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.03399  H Acceptors
H Donor LogD (pH = 5.5) -3.8875728 
LogD (pH = 7.4) -3.8992038  Log P -3.8877351 
Molar Refractivity 22.041 cm3 Polarizability 9.0643015 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
aqueous ethanol solution expand Show data source
Mass Shift
M+6 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source
Extent of Labeling
120-180 mCi per mmol expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S9771 external link
包装
Combi-vial
Physical form
Aqueous solution containing 2% ethanol

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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