AF30027
21499-23-0 | (R)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
Manufacturer: A2B Chem
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CatalogNumber
AF30027
ChemicalName
(R)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber
21499-23-0
MolecularFormula
C16H14O5
MolecularWeight
286.27936000000005
MdlNumber
MFCD00210357
Smiles
COc1ccc(cc1O)[C@@H]1OC(=O)c2c(C1)cccc2O
Complexity
385
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AF30027
ChemicalName: (R)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber: 21499-23-0
MolecularFormula: C16H14O5
MolecularWeight: 286.27936000000005
MdlNumber: MFCD00210357
Smiles: COc1ccc(cc1O)[C@@H]1OC(=O)c2c(C1)cccc2O
Complexity: 385
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AF30027
ChemicalName:
(R)-8-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)isochroman-1-one
CasNumber:
21499-23-0
MolecularFormula:
C16H14O5
MolecularWeight:
286.27936000000005
MdlNumber:
MFCD00210357
Smiles:
COc1ccc(cc1O)[C@@H]1OC(=O)c2c(C1)cccc2O
Complexity:
385
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF30029
ChemicalName: Crocetin
CasNumber: 27876-94-4
MolecularFormula: C20H24O4
MolecularWeight: 328.4022
MdlNumber: MFCD00017359
Smiles: CC(=CC=CC=C(/C=C/C=C(/C(=O)O)C)C)C=CC=C(C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AF30029
ChemicalName:
Crocetin
CasNumber:
27876-94-4
MolecularFormula:
C20H24O4
MolecularWeight:
328.4022
MdlNumber:
MFCD00017359
Smiles:
CC(=CC=CC=C(/C=C/C=C(/C(=O)O)C)C)C=CC=C(C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCOC1=CC=C(C=C1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCOC1=CC=C(C=C1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__