Basic information
- CAS
13457-68-6- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O- InChIKey
WLGHSSFVEUABFP-SLFMBYJQSA-N- Molecular formula
- C20H29N7O20P4
- Average molar mass
- 811.4 g/mol
- Monoisotopic mass
- 811.04178433
Names & identifiers
- Preferred name
- P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
- English name
- P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
- Molecular formula
- C20H29N7O20P4
- Molecular weight
- 811.38
Names & synonyms
Ap(5)dT13457-68-6P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphateDTXSID90158807RefChem:169237DTXCID2081298[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphateCHEMBL1794614Adenosine 5'-(pentahydrogen tetraphosphate), P'''-5'-ester with thymidine4TAP1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATECHEMBL603793
Show more names
AP4dTAdenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with thymidine
BDBM50367703
Database identifiers
- CAS
13457-68-6- PubChem CID
- 447779
- DTXSID
DTXSID90158807- ChEMBL
CHEMBL1794614- Nikkaji
- J1.695.692I
Properties
Computed structural properties
- XLogP
- -7.3
- Topological polar surface area
- 394 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,580
Physicochemical properties
- Density
- 2.39 · 2.39±0.1 g/cm3(Predicted)
- pka
- 0.7 · 0.70±0.50(Predicted)
Chemistry & industry
Suppliers3 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences16314854226 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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