Basic information
- CAS
2391-46-0- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=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
UYSXBCQACJTYFS-XPWFQUROSA-N- Molecular formula
- C20H25N10O10P
- Average molar mass
- 596.4 g/mol
- Monoisotopic mass
- 596.14927403
Overview
structure
Names & identifiers
- Preferred name
- Adenylyladenosine
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- English name
- ADENYLYL(3'-5')ADENOSINE
- Molecular formula
- C20H25N10O10P
- Molecular weight
- 596.45
Names & synonyms
Adenylyl-(3'-5')-adenosine2391-46-0AdenylyladenosineDTXSID201316197RefChem:915168DTXCID701746060219-239-9ADENYLYL(3'-5')ADENOSINE[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate102029-96-9Adenylyl-3'-5'-adenosine ammonium saltPhosphoric acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester
Show more names
APAA3'pA5'-O-(3'-Adenylyl)adenosine3'-O-(5'-Adenylyl)adenosineAdenosine, adenylyl-(3'→5')-3'-Adenylic acid 5'-adenosyl ester3'-O,5'''-O-PhosphinicobisadenosineADENYLYL-(3''---5'')-ADENOSINE(ApA) 94%Phosphoric acid 3'-adenosyl 5'-adenosyl ester
EINECS 219-239-9NSC 91555Adenylyl-3'-5'-adenosineorb533251Adenylyl-(3'.5')-adenosineorb1733766NA05778[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl hydrogen phosphate
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 294 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 980
Physicochemical properties
- storage temp.
- 0 °C · Store at 0°C
Chemistry & industry
Suppliers2 total
BOC Sciences+1-631-485-4226 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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