Tubercidin 5'-diphosphate-5'-1,2-dipalmitin
Basic information
- CAS
78679-20-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC- InChIKey
QYRBORBXERREBG-DNCZDIPLSA-N- Molecular formula
- C46H82N4O14P2
- Average molar mass
- 977.1 g/mol
- Monoisotopic mass
- 976.5302773
Overview
has enhanced catabolic stability compared to tubercidin
Names & identifiers
- Preferred name
- Tubercidin 5'-diphosphate-5'-1,2-dipalmitin
- IUPAC
- [(2R)-3-[[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
- English name
- tubercidin 5'-diphosphate-5'-1,2-dipalmitin
- Molecular formula
- C46H82N4O14P2
- Molecular weight
- 977.109202
Names & synonyms
Tudp-dipalmitinTubercidin 5'-diphosphate-5'-1,2-dipalmitin78679-20-6DTXSID002292347H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-O-(1,3-dihydroxy-6-((1-oxohexadecyl)oxy)-9-oxo-2,4,8-trioxa-1,3-diphosphatetracos-1-yl)-beta-D-arabinofuranosyl)-, P,P'-dioxide, (R)-RefChem:192440DTXCID20151725[(2R)-3-[[[(2R,3S,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate(2R)-3-(((((((2R,3S,4S,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate7-{5-O-[({[(2R)-2,3-Bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-beta-D-arabinofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- CAS
78679-20-6- PubChem CID
- 174154
- DTXSID
DTXSID00229234
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 261 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 42
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,410
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…