6-Aminohexyl-uridine-C1,5'-diphosphate
Basic information
- CAS
40248-31-5- Standard SMILES
NCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
MLWJBKPFDKRHBM-FMKGYKFTSA-N- Molecular formula
- C15H27N3O12P2
- Average molar mass
- 503.34 g/mol
- Monoisotopic mass
- 503.1069973
Names & identifiers
- Preferred name
- 6-Aminohexyl-uridine-C1,5'-diphosphate
- IUPAC
- [6-aminohexoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE[(6-aminohexyl)oxy][({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid((6-aminohexyl)oxy)(((((2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)phosphinic acidRefChem:54034840248-31-5UDHDB02696PD059798NS000708865'-O-[(R)-{[(S)-[(6-aminohexyl)oxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]uridine
Database identifiers
- CAS
40248-31-5- PubChem CID
- 448803
- Nikkaji
- J2.123.469I
Properties
Computed structural properties
- XLogP
- -6
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 796
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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