Basic information
- CAS
38716-10-8- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1COO- InChIKey
STXZSCOOCRDNCN-XLPZGREQSA-N- Molecular formula
- C10H14N2O7
- Average molar mass
- 274.23 g/mol
- Monoisotopic mass
- 274.08010079
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-Hydroperoxymethyl-2'-deoxyuridine
- IUPAC
- 5-(hydroperoxymethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5-hydroperoxymethyl-2'-deoxyuridine
- Molecular formula
- C10H14N2O7
- Molecular weight
- 274.23
Names & synonyms
5-Hydroperoxymethyl-2'-deoxyuridinealpha-Hydroperoxythymidine38716-10-8N7OT0J8WUSThymidine, alpha-hydroperoxy-DTXSID001920152'-DEOXY-5-HYDROPEROXYMETHYLURIDINEHPMdURefChem:102725DTXCID10114506CCRIS 6342BRN 0894315
Show more names
α-HydroperoxythymidineThymidine, α-hydroperoxy-
UNII-N7OT0J8WUSSCHEMBL2056789.ALPHA.-HYDROPEROXYTHYMIDINE5-(hydroperoxymethyl)-2'-deoxyuridine2'-Deoxy-5-(hydroperoxymethyl)uridineTHYMIDINE, .ALPHA.-HYDROPEROXY-
Database identifiers
- CAS
38716-10-8- PubChem CID
- 148264
- DTXSID
DTXSID00192015- UNII
- N7OT0J8WUS
- Nikkaji
- J501.117E
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 9.09 · 9.09±0.10(Predicted)
- FDA UNII
- 7 OT0J8WUS · N7OT0J8WUS
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
Upstream & downstream products
Downstream products
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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