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9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine

HCID 3580552
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
62908-71-8
Standard SMILES
[N-]=[N+]=NCC1OC(n2cnc3c(N)ncnc32)C2OC12
InChIKey
UOZMKJZGCQCPNO-UHFFFAOYSA-N
Molecular formula
C10H10N8O2
Average molar mass
274.24 g/mol
Monoisotopic mass
274.09267159

Names & identifiers

Preferred name
9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine
IUPAC
9-[4-(azidomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]purin-6-amine

Names & synonyms

NSC12562662908-71-8NSC-125626CHEMBL1990887DTXSID003938489-[4-(azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amineZINC03954369NCI60_0005959-(2,3-Anhydro-5-azido-5-deoxypentofuranosyl)-9H-purin-6-amine

Database identifiers

CAS
62908-71-8
PubChem CID
3580552
DTXSID
DTXSID00393848
ChEMBL
CHEMBL1990887

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
443

Related reactions

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Compound notes

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