(5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
Basic information
- CAS
28086-43-3- Standard SMILES
O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1- InChIKey
DJJCXFVJDGTHFX-UHFFFAOYSA-N- Molecular formula
- C9H13N2O9P
- Average molar mass
- 324.18 g/mol
- Monoisotopic mass
- 324.03586699
Overview
1-(5-O-Phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione is a pyrimidine ribonucleoside monophosphate.
Names & identifiers
- Preferred name
- (5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
- IUPAC
- [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- POLYURIDYLIC ACID (5') POTASSIUM SALT
- Molecular formula
- C9H13N2O9P
- Molecular weight
- 324.18
Names & synonyms
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate(5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphateRefChem:105055128086-43-3[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acidU 5'-PUridine 5'-monophosphate;Uridylic acid, 5'-Uridylic acid, Uridine phosphate, 5'-UMP, Uridine 5'-phosphoric acid5'-Uridylic acid; UMPDiquafosol Impurity 16C9H13N2O9P1-(5-o-phosphonopentofuranosyl)-2,4(1h,3h)-pyrimidinedione1-b-D-Arabinofuranosyluracil 5'-monophosphate
Show more names
Nsc224963POLY(U), POTASSIUMPOLY[U] POTASSIUM SALTpolyuridylic acid (5') potassiumPplyuridylic Acid Potassium SaltPOLYURIDYLIC ACID (5') POTASSIUM SALTPOLYURIDYLIC ACID, POTASSIUM SALT extrapurePOTASSIUM (2R,3R,4S,5R)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-5-((PHOSPHONOOXY)METHYL)TETRAHYDROFURAN-3-OLATE(HOMOPOLYMER)
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Hazard Codes
- Xn
- Risk Statements
- 42 · 42/43
- Safety Statements
- 22 · 22-36/37
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- wgk
- 3
- risk_code
- 42/43
- hazard_code
- Xn
- safety_code
- 22-36/37
Chemistry & industry
Additional notes
DefinitionChEBI: 1-(5-O-Phosphonopentofuranosyl)-2,4(1H,3H)-pyrimidinedione is a pyrimidine ribonucleoside monophosphate.
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Related reactions
2 records
Compound notes
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