2'-Deoxy-8-[(9H-pyrido[2,3-b]indol-2-yl)amino]guanosine

HCID 136239690

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Basic information

CAS: 269736-22-3
Standard SMILES: Nc1nc2c(nc(Nc3ccc4c(n3)[nH]c3ccccc34)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIKey: ZRBVUIRPSABEGI-GZBFAFLISA-N
Molecular formula: C21H20N8O4
Average molar mass: 448.4 g/mol
Monoisotopic mass: 448.16075115

Names & identifiers

Preferred name: 2'-Deoxy-8-[(9H-pyrido[2,3-b]indol-2-yl)amino]guanosine
IUPAC: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(9H-pyrido[2,3-b]indol-2-ylamino)-1H-purin-6-one

Names & synonyms

269736-22-32'-Deoxy-8-[(9H-pyrido[2,3-b]indol-2-yl)amino]guanosine8-((1H-Pyrido[2,3-b]indol-2-yl)amino)-2-amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(9H-pyrido[2,3-b]indol-2-ylamino)-1H-purin-6-one2'-Deoxy-8-(1H-pyrido[2,3-b]indol-2-ylamino)guanosineDTXSID607804522-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-({1H-pyrido[2,3-b]indol-2-yl}amino)-6,9-dihydro-1H-purin-6-one

Database identifiers

CAS: 269736-22-3
PubChem CID: 136239690
DTXSID: DTXSID60780452
Nikkaji: J1.327.688I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 176 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 33
Formal charge: 0
Complexity: 800

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