AI56075
761423-87-4 | Ipragliflozin
Manufacturer: A2B Chem
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CatalogNumber
AI56075
ChemicalName
Ipragliflozin
CasNumber
761423-87-4
MolecularFormula
C21H21FO5S
MolecularWeight
404.4518
MdlNumber
MFCD19443744
Smiles
OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
525
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AI56075
ChemicalName: Ipragliflozin
CasNumber: 761423-87-4
MolecularFormula: C21H21FO5S
MolecularWeight: 404.4518
MdlNumber: MFCD19443744
Smiles: OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 525
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI56075
ChemicalName:
Ipragliflozin
CasNumber:
761423-87-4
MolecularFormula:
C21H21FO5S
MolecularWeight:
404.4518
MdlNumber:
MFCD19443744
Smiles:
OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
525
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=NC=CC(=C1)I.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=NC=CC(=C1)I.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1[N+](=O)[O-])N1CCC(C1)O
Complexity: 281
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1[N+](=O)[O-])N1CCC(C1)O
Complexity:
281
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(c(c1F)F)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(c(c1F)F)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__