2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethyl azidoacetate

HCID 512015

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Basic information

CAS: 84499-68-3
Standard SMILES: [N-]=[N+]=NCC(=O)OCCOCN1C=NC2C(=O)NC(N)=NC21
InChIKey: BLQIWSJLQOCUDU-UHFFFAOYSA-N
Molecular formula: C10H14N8O4
Average molar mass: 310.27 g/mol
Monoisotopic mass: 310.11380096

Names & identifiers

Preferred name: 2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethyl azidoacetate
IUPAC: 2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 2-azidoacetate

Names & synonyms

84499-68-32-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethyl azidoacetate2-[(2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy]ethyl azidoacetate2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 2-azidoacetateDTXSID5010047732-[(6-Hydroxy-2-imino-2,3,4,5-tetrahydro-9H-purin-9-yl)methoxy]ethyl azidoacetate

Database identifiers

CAS: 84499-68-3
PubChem CID: 512015
DTXSID: DTXSID501004773

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 555

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