AG21847
524-30-1 | Fraxin
Manufacturer: A2B Chem
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CatalogNumber
AG21847
ChemicalName
Fraxin
CasNumber
524-30-1
MolecularFormula
C16H18O10
MolecularWeight
370.30812000000003
MdlNumber
MFCD00149582
Smiles
OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
539
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
26
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
4
Xlogp3
-0.6
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CatalogNumber: AG21847
ChemicalName: Fraxin
CasNumber: 524-30-1
MolecularFormula: C16H18O10
MolecularWeight: 370.30812000000003
MdlNumber: MFCD00149582
Smiles: OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 539
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: -0.6
CatalogNumber:
AG21847
ChemicalName:
Fraxin
CasNumber:
524-30-1
MolecularFormula:
C16H18O10
MolecularWeight:
370.30812000000003
MdlNumber:
MFCD00149582
Smiles:
OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
539
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COc1cc2CCN([C@@H](c2cc1Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)Cc1ccc(cc1)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COc1cc2CCN([C@@H](c2cc1Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)Cc1ccc(cc1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2oc(=O)ccc2c(c1C[C@H](C(O)(C)C)O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2oc(=O)ccc2c(c1C[C@H](C(O)(C)C)O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)ccc(n2)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)ccc(n2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__