Ipragliflozin Impurity 1
Basic information
- CAS
2602662-34-8- Standard SMILES
OC[C@H]1O[C@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
AHFWIQIYAXSLBA-QNDFHXLGSA-N- Molecular formula
- C21H21FO5S
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- Ipragliflozin Impurity 1
- IUPAC
- (2R,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Ipragliflozin α-isomer
- Molecular formula
- C21H21FO5S
- Molecular weight
- 404.45
Names & synonyms
Ipragliflozin Impurity 12602662-34-8(2R,3R,4R,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolstarbld0017282Ipragliflozin α-isomerIpragliflozin α-isomerQ: What is Ipragliflozin α-isomer Q: What is the CAS Number of Ipragliflozin α-isomer
Database identifiers
- CAS
2602662-34-8- Nikkaji
- J3.711.534G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 628.8 · 628.8±55.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 13.27 · 13.27±0.70(Predicted)
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Related reactions
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Compound notes
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