AB47812
79617-27-9 | H-Allo-Thr-OMe HCl
Manufacturer: A2B Chem
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CatalogNumber
AB47812
ChemicalName
H-Allo-Thr-OMe HCl
CasNumber
79617-27-9
MolecularFormula
C5H12ClNO3
MolecularWeight
169.6067
MdlNumber
MFCD00237766
Smiles
COC(=O)[C@H]([C@@H](O)C)N.Cl
Complexity
104
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AB47812
ChemicalName: H-Allo-Thr-OMe HCl
CasNumber: 79617-27-9
MolecularFormula: C5H12ClNO3
MolecularWeight: 169.6067
MdlNumber: MFCD00237766
Smiles: COC(=O)[C@H]([C@@H](O)C)N.Cl
Complexity: 104
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB47812
ChemicalName:
H-Allo-Thr-OMe HCl
CasNumber:
79617-27-9
MolecularFormula:
C5H12ClNO3
MolecularWeight:
169.6067
MdlNumber:
MFCD00237766
Smiles:
COC(=O)[C@H]([C@@H](O)C)N.Cl
Complexity:
104
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1
Complexity: 775
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1
Complexity:
775
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nn1ccnn1
Complexity: 44.8
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nn1ccnn1
Complexity:
44.8
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCc2c1ccc(c2)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CCCc2c1ccc(c2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__