Adenosine 3'-(hexahydrogen pentaphosphate), P''''->5'-ester with adenosine
Basic information
- CAS
50304-44-4- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)[C@@H](O)[C@H]1O- InChIKey
FHPHAVQMFVPYLU-XPWFQUROSA-N- Molecular formula
- C20H29N10O22P5
- Average molar mass
- 916.4 g/mol
- Monoisotopic mass
- 916.01459758
Overview
structure
Names & identifiers
- Preferred name
- Adenosine 3'-(hexahydrogen pentaphosphate), P''''->5'-ester with adenosine
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Names & synonyms
P(1),P(5)-bis(5'-adenosyl)pentaphosphateDTXSID90114851350304-44-4Adenosine 3'-(hexahydrogen pentaphosphate), P''''->5'-ester with adenosineRefChem:169231adenosine 3'-(hexahydrogen pentaphosphate), 3'-5'-ester with adenosineDTXCID301580080256-528-9P(1),P(5)-di(adenosine-5'-)pentaphosphateEINECS 256-528-9Adenosine 3'-(hexahydrogen pentaphosphate), 3'.5'-ester with adenosineAdenosine 3a(2)-(hexahydrogen pentaphosphate), Pa(2)a(2)a(2)a(2)a5a(2)-ester with adenosine
Database identifiers
- CAS
50304-44-4- PubChem CID
- 119480
- DTXSID
DTXSID901148513- EC Number
- 256-528-9
Properties
Computed structural properties
- XLogP
- -9.4
- Topological polar surface area
- 481 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 16
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,700
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause constriction of the blood vessels.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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