(4S,2R,3R,5R)-5-(hydroxymethyl)-2-[2-iodo-6-(methoxyamino)purin-9-yl]oxolane-3,4-diol

HCID 16115751
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Basic information

Standard SMILES
CONc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
GNNGFDUNVSCVFX-KQYNXXCUSA-N
Molecular formula
C11H14IN5O5
Average molar mass
423.16 g/mol
Monoisotopic mass
423.00397

Names & identifiers

Preferred name
(4S,2R,3R,5R)-5-(hydroxymethyl)-2-[2-iodo-6-(methoxyamino)purin-9-yl]oxolane-3,4-diol
IUPAC
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-iodo-6-(methoxyamino)purin-9-yl]oxolane-3,4-diol

Names & synonyms

CHEMBL223472SCHEMBL4384509GNNGFDUNVSCVFX-KQYNXXCUSA-NBDBM50205706(4S,2R,3R,5R)-5-(hydroxymethyl)-2-[2-iodo-6-(methoxyamino)purin-9-yl]oxolane-3,4-diol(2R,3S,4R)-2-hydroxymethyl-5-((S)-2-iodo-6-methoxyamino-9H-purin-3-yl)-tetrahydro-furan-3,4-diol

Database identifiers

PubChem CID
16115751
ChEMBL
CHEMBL223472

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
135 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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