Isocoformycin
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Basic information
- CAS
67187-35-3- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c2NC=NC(O)C3)[C@H](O)[C@@H]1O- InChIKey
KINKUHCNMYKMHT-VDZCSFMGSA-N- Molecular formula
- C11H16N4O5
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.11206962
Overview
inhibits adenosine deaminase
Names & identifiers
- Preferred name
- Isocoformycin
- IUPAC
- (2R,3R,4S,5R)-2-(7-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- isocoformycin
- Molecular formula
- C11H16N4O5
- Molecular weight
- 284.27
Names & synonyms
Isocoformycin67187-35-3Imidazo(4,5-d)(1,3)diazepin-7-ol, 3,4,7,8-tetrahydro-3-beta-D-ribofuranosyl-RefChem:1491983-beta-D-Ribofuranosyl-3,4,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-7-olBRN 12241873-beta-D-Ribofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-7-ol(2R,3R,4S,5R)-2-(7-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL11525899DTXSID10986200KINKUHCNMYKMHT-VDZCSFMGSA-N3-Pentofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-7-ol
Show more names
3-β-D-Ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-7-olImidazo[4,5-d][1,3]diazepin-7-ol, 3,6,7,8-tetrahydro-3-β-D-ribofuranosyl-
Database identifiers
- CAS
67187-35-3- PubChem CID
- 128757
- DTXSID
DTXSID10986200- Nikkaji
- J446.461C
Properties
Computed structural propertiesFilling in
- XLogP
- -2.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
1 records
Compound notes
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