AI47077
3068-32-4 | 2,3,4,6-Tetra-o-acetyl-alpha-d-galactopyranosyl bromide
Manufacturer: A2B Chem
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CatalogNumber
AI47077
ChemicalName
2,3,4,6-Tetra-o-acetyl-alpha-d-galactopyranosyl bromide
CasNumber
3068-32-4
MolecularFormula
C14H19BrO9
MolecularWeight
411.1993
MdlNumber
MFCD00063686
Smiles
CC(=O)OC[C@H]1O[C@H](Br)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity
507
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
24
HydrogenBondAcceptorCount
9
RotatableBondCount
9
Xlogp3
1.5
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CatalogNumber: AI47077
ChemicalName: 2,3,4,6-Tetra-o-acetyl-alpha-d-galactopyranosyl bromide
CasNumber: 3068-32-4
MolecularFormula: C14H19BrO9
MolecularWeight: 411.1993
MdlNumber: MFCD00063686
Smiles: CC(=O)OC[C@H]1O[C@H](Br)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 507
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
RotatableBondCount: 9
Xlogp3: 1.5
CatalogNumber:
AI47077
ChemicalName:
2,3,4,6-Tetra-o-acetyl-alpha-d-galactopyranosyl bromide
CasNumber:
3068-32-4
MolecularFormula:
C14H19BrO9
MolecularWeight:
411.1993
MdlNumber:
MFCD00063686
Smiles:
CC(=O)OC[C@H]1O[C@H](Br)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
507
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
RotatableBondCount:
9
Xlogp3:
1.5
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Smiles: CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C.[Cl-]
Complexity: __
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Smiles:
CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C.[Cl-]
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Smiles: Oc1ccc(c(c1)O)/C=N/N1CCN(CC1)c1ccccc1
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Smiles:
Oc1ccc(c(c1)O)/C=N/N1CCN(CC1)c1ccccc1
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Smiles: S=C(Nc1ccccc1)NNC(=O)c1ccoc1C
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
S=C(Nc1ccccc1)NNC(=O)c1ccoc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__