AB73403
531-75-9 | Esculin
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB73403
ChemicalName
Esculin
CasNumber
531-75-9
MolecularFormula
C15H16O9
MolecularWeight
340.2821399999999
MdlNumber
MFCD00149492
Smiles
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
495
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
24
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
5
RotatableBondCount
3
Xlogp3
-0.6
Related Products
Compare Similar Items
Show Difference
CatalogNumber: AB73403
ChemicalName: Esculin
CasNumber: 531-75-9
MolecularFormula: C15H16O9
MolecularWeight: 340.2821399999999
MdlNumber: MFCD00149492
Smiles: OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 495
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 5
RotatableBondCount: 3
Xlogp3: -0.6
CatalogNumber:
AB73403
ChemicalName:
Esculin
CasNumber:
531-75-9
MolecularFormula:
C15H16O9
MolecularWeight:
340.2821399999999
MdlNumber:
MFCD00149492
Smiles:
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
495
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [CH]1[CH][CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[CH]1[CH][CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O]C(=O)C([O])C.[CH2]COc1ccc2c(c1)c([NH])c1c(n2)cc(cc1)[NH].[OH]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O]C(=O)C([O])C.[CH2]COc1ccc2c(c1)c([NH])c1c(n2)cc(cc1)[NH].[OH]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__