AB42750
5267-64-1 | D-Phenylalaninol
Manufacturer: A2B Chem
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CatalogNumber
AB42750
ChemicalName
D-Phenylalaninol
CasNumber
5267-64-1
MolecularFormula
C9H13NO
MolecularWeight
151.2056
MdlNumber
MFCD00064298
Smiles
OC[C@@H](Cc1ccccc1)N
Complexity
99.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AB42750
ChemicalName: D-Phenylalaninol
CasNumber: 5267-64-1
MolecularFormula: C9H13NO
MolecularWeight: 151.2056
MdlNumber: MFCD00064298
Smiles: OC[C@@H](Cc1ccccc1)N
Complexity: 99.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB42750
ChemicalName:
D-Phenylalaninol
CasNumber:
5267-64-1
MolecularFormula:
C9H13NO
MolecularWeight:
151.2056
MdlNumber:
MFCD00064298
Smiles:
OC[C@@H](Cc1ccccc1)N
Complexity:
99.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AB42751
ChemicalName: (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
CasNumber: 126-07-8
MolecularFormula: C17H17ClO6
MolecularWeight: 352.7663
MdlNumber: MFCD00082343
Smiles: COC1=CC(=O)C[C@@H]([C@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
Complexity: 575
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB42751
ChemicalName:
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
CasNumber:
126-07-8
MolecularFormula:
C17H17ClO6
MolecularWeight:
352.7663
MdlNumber:
MFCD00082343
Smiles:
COC1=CC(=O)C[C@@H]([C@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C
Complexity:
575
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](O)C
Complexity: 69.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](O)C
Complexity:
69.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)C(=O)O[C@@](C(=O)c1ccc(cc1)C)([C@@H](C(=O)O)O)C(=O)O
Complexity: 533
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)C(=O)O[C@@](C(=O)c1ccc(cc1)C)([C@@H](C(=O)O)O)C(=O)O
Complexity:
533
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3