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15958-99-3 molecular structure
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1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 166038
Molecular Formular: C9H12N2O5
Molecular Mass: 228.20198
Monoisotopic Mass: 228.07462149
SMILES and InChIs

SMILES:
[C@H]1(C([C@@H](O[C@@H]1C)n1c(=O)[nH]c(=O)cc1)O)O
Canonical SMILES:
C[C@H]1O[C@H](C([C@H]1O)O)n1ccc(=O)[nH]c1=O
InChI:
InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6+,7?,8-/m1/s1
InChIKey:
WUBAOANSQGKRHF-JDNPWWSISA-N

Cite this record

CBID:166038 http://www.chembase.cn/molecule-166038.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-3H-pyrimidine-2,4-dione
Synonyms
5’-Deoxy-uridine
5'-Deoxyuridine
CAS Number
15958-99-3
PubChem SID
162260171
PubChem CID
46781105

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D288025 external link Add to cart
PubChem 46781105 external link
Data Source Data ID Price
TRC
D288025 external link Add to cart Please log in.
Data Source Data ID
PubChem 46781105 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.70079  H Acceptors
H Donor LogD (pH = 5.5) -1.3683592 
LogD (pH = 7.4) -1.3704747  Log P -1.3683321 
Molar Refractivity 51.0219 cm3 Polarizability 20.191685 Å3
Polar Surface Area 99.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D288025 external link
A uridine derivative used as a therapeutic agent for treating allergy, cancer, infection and autoimmune disease.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Vickers, M., et al.: Biochem. J., 339, 21 (1999)
  • • del Santo, B., et al.: J. Hepatol., 34, 873 (1999)
  • • Chang, C., et al.: Mol. Pharmacol., 65, 558 (1999)
  • • Visser, F., et al.: Mol. Pharmacol., 67, 1291 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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