3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[2-hydroxy-1,1-di-(methyl)ethylcarbamoyl]ethoxy}phenyl)methyl]-5-isopropyl-1H-pyrazole
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Basic information
- Standard SMILES
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(OCCC(=O)NC(C)(C)CO)cc1- InChIKey
MQNMYIMVIFDLLT-FLYQRFDZSA-N- Molecular formula
- C26H39N3O9
- Average molar mass
- 537.6 g/mol
Names & identifiers
- Preferred name
- 3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[2-hydroxy-1,1-di-(methyl)ethylcarbamoyl]ethoxy}phenyl)methyl]-5-isopropyl-1H-pyrazole
- IUPAC
- N-(1-hydroxy-2-methylpropan-2-yl)-3-[4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propanamide
Names & synonyms
SCHEMBL3182787MQNMYIMVIFDLLT-FLYQRFDZSA-N3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[2-hydroxy-1,1-di-(methyl)-ethylcarbamoyl]ethoxy}phenyl)methyl]-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[2-hydroxy-1,1-di-(methyl)ethylcarbamoyl]ethoxy}phenyl)methyl]-5-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 68540906
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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