Basic information
- CAS
42204-46-6- Standard SMILES
Cn1nc2c(N)ncnc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
XWDQONRNNQNSJX-LFAOKBQASA-N- Molecular formula
- C11H15N5O4
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.11240398
Overview
structure
Names & identifiers
- Preferred name
- (1S)-1-C-(7-Amino-2-methyl-2H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol
- IUPAC
- (2S,3R,4S,5R)-2-(7-amino-2-methylpyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
2-Methylformycin42204-46-6RefChem:9057167-amino-2-methyl-3-(beta-D-ribofuranosyl)pyrazolo-(4.3-d)pyrimidine(1S)-1-C-(7-Amino-2-methyl-2H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol7-Amino-2-methyl-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidineD-Ribitol, 1-C-(7-amino-2-methyl-2H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, (S)-N2-Methyl formycin A(2S,3R,4S,5R)-2-(7-amino-2-methylpyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolDTXSID009623711,4-Anhydro-1-(7-imino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)pentitolD-Ribitol, 1-C-(7-amino-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, (1S)-
Show more names
(1S)-1,4-Anhydro-1-(7-imino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol(2S,3R,4S,5R)-2-(7-amino-2-methyl-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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