Basic information
- CAS
964-26-1- Standard SMILES
O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1- InChIKey
JSRLJPSBLDHEIO-SHYZEUOFSA-N- Molecular formula
- C9H13N2O8P
- Average molar mass
- 308.18 g/mol
- Monoisotopic mass
- 308.04095237
Overview
DUMP is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having uracil as the nucleobase. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a deoxyuridine phosphate and a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate. It is a conjugate acid of a dUMP(2-).
Names & identifiers
- Preferred name
- dUMP
- IUPAC
- [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- 2'-deoxyuridine 5'-monophosphate
- Molecular formula
- C9H13N2O8P
- Molecular weight
- 308.18
Names & synonyms
dUMPDeoxyuridine monophosphate2'-deoxy-5'-uridylic acid964-26-12'-deoxyuridylic acidDeoxyuridylic acidDeoxy-UMP2'-DeoxyuridylateDeoxyuridine 5'-phosphate2'-Deoxyuridine 5'-phosphatedeoxyuridylateDeoxyuridine 5'-monophosphate
Show more names
dUMP·H22''-Deoxyuridine-5''-monophosphoric acid2'-Deoxyuridine-5'-monophosphate free acid[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
5'-Uridylic acid, 2'-deoxy-2'-DEOXYURIDINE-5'-MONOPHOSPHATEUridine, 2'-deoxy-, 5'-(dihydrogen phosphate)N9J10KFG94DTXSID20242223CHEBI:17622[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate{[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
167.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
168.1 Ų [M+Na]+
Physicochemical properties
- Density
- 1.742 · 1.742±0.06 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- FDA UNII
- 9 J10KFG94 · N9J10KFG94
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysBeta Ureidopropionase Deficiency
Applications
Uses2'-Deoxyuridine 5'-monophosphate (dUMP) is a deoxynucleotide that is reductively methylated to dTMP (2'-deoxythymidine 5'-monophosphate) by bisubstrate enzyme thymidylate synthase (TS). dTMP is a nucleotide required for DNA synthesis[1].
Suppliers21 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
安徽仕通生物科技有限公司15555170917 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
Related reactions
2 records
Compound notes
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