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2782-09-4 molecular structure
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(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

ChemBase ID: 153880
Molecular Formular: C5H8O5
Molecular Mass: 148.11402
Monoisotopic Mass: 148.03717336
SMILES and InChIs

SMILES:
C([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O
Canonical SMILES:
OC[C@H]1OC(=O)[C@H]([C@@H]1O)O
InChI:
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1
InChIKey:
CUOKHACJLGPRHD-JJYYJPOSSA-N

Cite this record

CBID:153880 http://www.chembase.cn/molecule-153880.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one
IUPAC Traditional name
D-arabinono-1,4-lactone
Synonyms
D-Arabinonic acid γ-lactone
D-Arabino-1,4-lactone
CAS Number
2782-09-4
MDL Number
MFCD00153592
PubChem SID
162248019
PubChem CID
17723

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
79469 external link Add to cart Please log in.
Data Source Data ID
PubChem 17723 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.633838  H Acceptors
H Donor LogD (pH = 5.5) -2.1149385 
LogD (pH = 7.4) -2.1149635  Log P -2.1149383 
Molar Refractivity 28.8163 cm3 Polarizability 12.117866 Å3
Polar Surface Area 86.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Optical Rotation
[α]/D 73.0±2.0°, c = 1 in H2O expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C5H8O5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 79469 external link
Application
D-Arabino-1,4-lactone is used as a substrate to identify, differentiate and characterize stereospecific arabino-1,4-lactone oxidase(s)/ arabinonolactone oxidase(s) (LdALO) involved in vitamin C biosynthesis. D-Arabino-1,4-lactone is used as a precursor for the biosynthesis of erythroascorbate.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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