Basic information
- CAS
328553-59-9- Standard SMILES
COc1[nH+]c(N)c(NC2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C- InChIKey
PGVODIOYTVZUKM-MQVHMZHQSA-O- Molecular formula
- C11H19N4O6+
- Average molar mass
- 303.29 g/mol
- Monoisotopic mass
- 303.13045934
Names & identifiers
- Preferred name
- 4(3H)-Pyrimidinone, 6-amino-2-methoxy-3-methyl-5-(beta-L-xylopyranosylamino)-
- IUPAC
- 6-amino-2-methoxy-3-methyl-5-[[(3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]amino]pyrimidin-1-ium-4-one
Names & synonyms
328553-59-94(3H)-Pyrimidinone, 6-amino-2-methoxy-3-methyl-5-(beta-L-xylopyranosylamino)-6-Amino-2-methoxy-3-methyl-5-N-beta-L-xylopyranosylaminopyrimidin-4(3H)-one4(3H)-Pyrimidinone, 6-amino-2-methoxy-3-methyl-5-(.beta.-L-xylopyranosylamino)-6-Amino-2-methoxy-3-methyl-5-N-.beta.-L-xylopyranosylaminopyrimidin-4(3H)-one6-amino-2-methoxy-3-methyl-5-[[(3S,4R,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]amino]-1H-pyrimidin-4-one
Database identifiers
- CAS
328553-59-9- PubChem CID
- 484373
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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