Basic information
- CAS
63689-79-2- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1[N+](=O)[O-]- InChIKey
LVLPVLNNXRTCHP-RRKCRQDMSA-N- Molecular formula
- C9H12N3O10P
- Average molar mass
- 353.18 g/mol
- Monoisotopic mass
- 353.02603059
Names & identifiers
- Preferred name
- 5-Nitro-2'-deoxyuridine 5'-monophosphate
- IUPAC
- [(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
- English name
- [(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl] methoxyphosphonic acid
- Molecular formula
- C9H12N3O10P
- Molecular weight
- 353.18
Names & synonyms
5-Nitro-2'-deoxyuridine 5'-monophosphate5-Nitro-2'-deoxyuridylate63689-79-2M5XXZ2MQ755'-Uridylic acid, 2'-deoxy-5-nitro-DTXSID30213085RefChem:103252DTXCID301355762'-Deoxy-5-Nitrouridine 5'-(Dihydrogen Phosphate)5-nitro-2'-deoxyuridylic acidCHEMBL1234672[(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Show more names
[(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl] methoxyphosphonic acid
UNII-M5XXZ2MQ75SCHEMBL95906445-NITRODEOXYURIDYLIC ACIDBDBM50010241PD195095Q27283526Q27463760NDN
Database identifiers
- CAS
63689-79-2- PubChem CID
- 149015
- DTXSID
DTXSID30213085- ChEMBL
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- FDA UNII
- 5 XXZ2MQ75 · M5XXZ2MQ75
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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