Uridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-alpha-D-galactopyranosyl ester

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Basic information

CAS: 136465-76-4
Standard SMILES: [N-]=[N+]=N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey: UMRLAMTYOVYVEO-YHOIAXGVSA-N
Molecular formula: C15H23N5O15P2
Average molar mass: 575.32 g/mol
Monoisotopic mass: 575.06658904

Names & identifiers

Preferred name: Uridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-alpha-D-galactopyranosyl ester
IUPAC: [[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Names & synonyms

136465-76-4Uridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-alpha-D-galactopyranosyl esterDTXSID60159801[(2S,3S,5R)-3-Azido-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl dihydrogen diphosphate[[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphateUridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-.alpha.-D-galactopyranosyl esterUridine 5'-(trihydrogen diphosphate), 3'-azido-2',3'-dideoxy-, P'-|A-D-galactopyranosyl ester (9CI)

Database identifiers

CAS: 136465-76-4
PubChem CID: 452284
DTXSID: DTXSID60159801

Properties

Computed structural properties

XLogP: -4.1
Topological polar surface area: 265 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 17
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 1,050

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Compound notes

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