Basic information
- Standard SMILES
O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O- InChIKey
HDYANYHVCAPMJV-UHFFFAOYSA-N- Molecular formula
- C15H22N2O18P2
- Average molar mass
- 580.28 g/mol
- Monoisotopic mass
- 580.03428512
Names & identifiers
- Preferred name
- 6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- IUPAC
- 6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
SCHEMBL2787208DTXSID50863001HDYANYHVCAPMJV-UHFFFAOYSA-N6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidPD022583L001063Glucopyranuronic acid, 1-ester with uridine 5 inverted exclamation marka-pyrophosphate(2R,3R,4R,5S,6R)-6-[[[(2S,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid6-((((((5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid6-{[{[{[5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Database identifiers
- PubChem CID
- 390
- DTXSID
DTXSID50863001
Properties
Computed structural properties
- XLogP
- -6.4
- Topological polar surface area
- 309 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
3 records
Linked notes
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