SC-46267

HCID 154341

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Basic information

CAS: 130796-74-6
Standard SMILES: OC[C@H]1O[C@@H](n2cnc3c(NC[C@H](O)COc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O
InChIKey: DIWZLEHFHZUKRM-KVXBPHRHSA-N
Molecular formula: C23H25N5O6
Average molar mass: 467.5 g/mol
Monoisotopic mass: 467.18048353

Names & identifiers

Preferred name: SC-46267
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]purin-9-yl]oxolane-3,4-diol

Names & synonyms

CCRIS 5382SC-46267UNII-D1SV179FNKAdenosine, N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-, (S)-D1SV179FNKSc-46256(S)-N-(2-Hydroxy-3-(1-naphthalenyloxy)propyl)adenosineDTXSID90156742ADENOSINE, N-((2S)-2-HYDROXY-3-(1-NAPHTHALENYLOXY)PROPYL)-RefChem:202950DTXCID8079233130796-74-6

Show more names

SCHEMBL9766591Q27275980N-{(2S)-2-Hydroxy-3-[(naphthalen-1-yl)oxy]propyl}adenosineAdenosine,N-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]- (9CI)

Database identifiers

CAS: 130796-74-6
PubChem CID: 154341
DTXSID: DTXSID90156742
UNII: D1SV179FNK

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 155 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 663

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