Basic information
- Standard SMILES
Cc1cc(OCCCNC(=O)N2CCN(CCO)CC2)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C- InChIKey
IPVXPDWYJCWDIK-LILOYGOGSA-N- Molecular formula
- C30H47N5O9
- Average molar mass
- 621.7 g/mol
Names & identifiers
- Preferred name
- 3-(beta-D-Glucopyranosyloxy)-4-{[4-(3-{[4-(2-hydroxyethyl)-piperazin-1-yl]carbonylamino}propoxy)-2-methylphenyl]-methyl}-5-isopropyl-1H-pyrazole
- IUPAC
- 4-(2-hydroxyethyl)-N-[3-[3-methyl-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]propyl]piperazine-1-carboxamide
Names & synonyms
SCHEMBL4184987IPVXPDWYJCWDIK-LILOYGOGSA-N3-(beta-D-Glucopyranosyloxy)-4-{[4-(3-{[4-(2-hydroxyethyl)-piperazin-1-yl]carbonylamino}propoxy)-2-methylphenyl]-methyl}-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-{[4-(3-{[4-(2-hydroxyethyl)piperazin-1-yl]carbonylamino}propoxy)-2-methylphenyl]-methyl}-5-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 68947005
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 867
Related reactions
2 records
Compound notes
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