6-Amino-2-iodo-9-(beta-D-ribofuranosyl)purine

HCID 584040

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc(I)nc2c1ncn2C1OC(CO)C(O)C1O
InChIKey: MGEBVSZZNFOIRB-UHFFFAOYSA-N
Molecular formula: C10H12IN5O4
Average molar mass: 393.14 g/mol

Names & identifiers

Preferred name: 6-Amino-2-iodo-9-(beta-D-ribofuranosyl)purine
IUPAC: 2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Names & synonyms

6-Amino-2-iodo-9-(beta-D-ribofuranosyl)purineSCHEMBL13461111AKOS032947763LS-137832-(6-amino-2-iodo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Database identifiers

PubChem CID: 584040

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 140 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Related reactions

23 records

New reaction record

HRID 102526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137067As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 154325As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158108As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174686As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185383As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 208637As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289254As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…