Basic information
- CAS
114746-65-5- Standard SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O- InChIKey
MWBSIBGZKCNKFZ-KCGFPETGSA-N- Molecular formula
- C11H15N5O6S
- Average molar mass
- 345.33 g/mol
- Monoisotopic mass
- 345.07430439
Names & identifiers
- Preferred name
- 7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-O-(aminosulfonyl)-beta-D-ribofuranosyl)-
- IUPAC
- [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Names & synonyms
114746-65-5SCHEMBL29592471DTXSID009214837-(5-O-Sulfamoylpentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine7-(5-O-Sulfamoyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine7-[5-O-(Aminosulfonyl)-|A-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-O-(aminosulfonyl)-beta-D-ribofuranosyl)-
Database identifiers
- CAS
114746-65-5- PubChem CID
- 189237
- DTXSID
DTXSID00921483- Nikkaji
- J3.494.322B
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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