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10326-41-7 molecular structure
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(2R)-2-hydroxypropanoic acid

ChemBase ID: 2769
Molecular Formular: C3H6O3
Molecular Mass: 90.07794
Monoisotopic Mass: 90.03169405
SMILES and InChIs

SMILES:
C[C@@H](O)C(=O)O
Canonical SMILES:
OC(=O)[C@H](O)C
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
InChIKey:
JVTAAEKCZFNVCJ-UWTATZPHSA-N

Cite this record

CBID:2769 http://www.chembase.cn/molecule-2769.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-hydroxypropanoic acid
IUPAC Traditional name
@D-lactic acid
D-lactic acid
Synonyms
D-Lactic Acid
D-(-)-Lactic acid
(S)-2-Hydroxypropionic acid
L-Lactic acid, anhydrous
Lactic Acid
(R)-2-羟基丙酸
L-乳酸, 无水
CAS Number
10326-41-7
79-33-4
50-21-5
EC Number
233-713-2
201-196-2
MDL Number
MFCD00064266
MFCD00068311
Beilstein Number
1720251
1720252
Merck Index
145337
PubChem SID
46505582
160966217
24896259
46505962
PubChem CID
61503

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 3.7849424  H Acceptors
H Donor LogD (pH = 5.5) -2.1885695 
LogD (pH = 7.4) -3.7410624  Log P -0.4718295 
Molar Refractivity 18.8398 cm3 Polarizability 7.546188 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.79  LOG S 0.79 
Solubility (Water) 5.62e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52-54°C expand Show data source
Boiling Point
119°C/12mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.22 expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
OD3100000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
38-41 expand Show data source
Safety Statements
26-37/39 expand Show data source
26-39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318 expand Show data source
H318-H315 expand Show data source
GHS Precautionary statements
P280B-P305+P351+P338-P337+P313 expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
93-107% expand Show data source
98% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank - DB03066 external link
Item Information
Drug Groups experimental
Description A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)
DrugBank - DB04398 external link
Item Information
Drug Groups experimental
Description A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)
External Links
Drugs.com
Sigma Aldrich - L0625 external link
Analysis Note
Assayed enzymatically using D(-)lactic dehydrogenase
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. L0625.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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