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533-67-5 molecular structure
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(2S,4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol

ChemBase ID: 295226
Molecular Formular: C5H10O4
Molecular Mass: 134.1305
Monoisotopic Mass: 134.0579088
SMILES and InChIs

SMILES:
C1[C@@H]([C@H](O[C@@H]1O)CO)O
Canonical SMILES:
OC[C@H]1O[C@@H](C[C@@H]1O)O
InChI:
InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKey:
PDWIQYODPROSQH-LMVFSUKVSA-N

Cite this record

CBID:295226 http://www.chembase.cn/molecule-295226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
IUPAC Traditional name
deoxyribose
Synonyms
Thyminose
2-Deoxy-D-ribose
2-去氧-D-核糖
CAS Number
533-67-5
EC Number
208-573-0
MDL Number
MFCD00135904
Beilstein Number
1721978
Merck Index
142908
PubChem SID
180680757
PubChem CID
11908474

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 11908474 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.360978  H Acceptors
H Donor LogD (pH = 5.5) -1.4015663 
LogD (pH = 7.4) -1.4015709  Log P -1.4015663 
Molar Refractivity 28.4502 cm3 Polarizability 11.923472 Å3
Polar Surface Area 69.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
76-85°C expand Show data source
Optical Rotation
-56 (c=1 in water, 24h) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
SB7230000 expand Show data source
TSCA Listed
expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Starting material for a free-radical coupling reaction (employing homolytic fission of a derivative with 2-Mercaptopyridine N-oxide, A14152) which provides a facile preparative method for C-nucleosides: Chem. Lett., 1673 (1992).
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PATENTS

PATENTS

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INTERNET

INTERNET

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