Home > Compound List > Compound details
15176-29-1 molecular structure
click picture or here to close

5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 133123
Molecular Formular: C11H16N2O5
Molecular Mass: 256.25514
Monoisotopic Mass: 256.10592162
SMILES and InChIs

SMILES:
CCc1cn(c(=O)[nH]c1=O)C1CC(C(O1)CO)O
Canonical SMILES:
OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O
InChI:
InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)
InChIKey:
XACKNLSZYYIACO-UHFFFAOYSA-N

Cite this record

CBID:133123 http://www.chembase.cn/molecule-133123.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
edoxudine
Synonyms
Edoxudine
5-Ethyl-2′-deoxyuridine
EUdR
CAS Number
15176-29-1
EC Number
239-226-1
MDL Number
MFCD00079191
PubChem SID
24894696
162227400
PubChem CID
1814

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
E9386 external link Add to cart Please log in.
Data Source Data ID
PubChem 1814 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.953265  H Acceptors
H Donor LogD (pH = 5.5) -0.67450005 
LogD (pH = 7.4) -0.6756842  Log P -0.6744849 
Molar Refractivity 60.013 cm3 Polarizability 23.815998 Å3
Polar Surface Area 99.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
RTECS
YU7500000 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

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E9386 external link
Linkage
Homolog of thymidine
Application
5-Ethyl-2′-deoxyuridine (EUdR) is used as a 5-fluorouracil (FU) modulator. EtdUrd may be used to enhance the therapeutic index of 5-FU by reducing the catabolism, prolonging the plasma and intratumoral concentrations of 5-FU, and offering protection to normal organs by increasing the endogenous uridine levels.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle