Basic information
- CAS
23589-16-4- Standard SMILES
OCC1OC(n2cnc3c(Nc4ccccc4)ncnc32)C(O)C1O- InChIKey
QVUUUSJUORLECR-UHFFFAOYSA-N- Molecular formula
- C16H17N5O4
- Average molar mass
- 343.34 g/mol
- Monoisotopic mass
- 343.12805404
Names & identifiers
- Preferred name
- Adenosine,6N-phenyl
- IUPAC
- 2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- N6-Phenyladenosine
- Molecular formula
- C16H17N5O4
- Molecular weight
- 343.34
Names & synonyms
ADENOSINE,6N-PHENYLDTXSID00874788RefChem:317292DTXCID401012913NOCAS_8747889-pentofuranosyl-n-phenyl-9h-purin-6-amineNSC-517192NSC337772SCHEMBL16092854(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(phenylamino)-9H-purin-9-yl]oxolane-3,4-diolHMS3374H06NSC517192
Show more names
N6-PhenyladenosineAdenosine, N-phenyl-5′-Inosinic acid, homopolymer, potassium salt (9CI, ACI)(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(phenylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
NSC-337772
Database identifiers
- CAS
23589-16-4- PubChem CID
- 4405
- DTXSID
DTXSID00874788
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 187 · 187-188 °C(lit.)
- Boiling point
- 697.4 · 697.4±65.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- solubility
- 0.1 M · 0.1 M NaOH: soluble
- form
- solid
- pka
- 13.09 · 13.09±0.70(Predicted)
- color
- white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences16314854226 · [email protected]
Additional notes
DefinitionChEBI: (2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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