AB51639
6119-70-6 | Quinine sulfate hydrate(2:1:4)
Manufacturer: A2B Chem
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CatalogNumber
AB51639
ChemicalName
Quinine sulfate hydrate(2:1:4)
CasNumber
6119-70-6
MolecularFormula
C40H58N4O12S
MolecularWeight
818.9731
MdlNumber
MFCD00078499
Smiles
OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.O.O.O.O
Complexity
538
Covalently-bondedUnitCount
5
DefinedAtomStereocenterCount
8
HeavyAtomCount
55
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
6
RotatableBondCount
8
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CatalogNumber: AB51639
ChemicalName: Quinine sulfate hydrate(2:1:4)
CasNumber: 6119-70-6
MolecularFormula: C40H58N4O12S
MolecularWeight: 818.9731
MdlNumber: MFCD00078499
Smiles: OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.O.O.O.O
Complexity: 538
Covalently-bondedUnitCount: 5
DefinedAtomStereocenterCount: 8
HeavyAtomCount: 55
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 6
RotatableBondCount: 8
CatalogNumber:
AB51639
ChemicalName:
Quinine sulfate hydrate(2:1:4)
CasNumber:
6119-70-6
MolecularFormula:
C40H58N4O12S
MolecularWeight:
818.9731
MdlNumber:
MFCD00078499
Smiles:
OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.O.O.O.O
Complexity:
538
Covalently-bondedUnitCount:
5
DefinedAtomStereocenterCount:
8
HeavyAtomCount:
55
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
6
RotatableBondCount:
8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1)NC(=O)C
Complexity: 162
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)NC(=O)C
Complexity:
162
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1O[C@H](O)C([C@@H]([C@@H]1O[C@H]1OC(CO)[C@@H]([C@H](C1O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1O[C@H](O)C([C@@H]([C@@H]1O[C@H]1OC(CO)[C@@H]([C@H](C1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB51642
ChemicalName: 4-Bromopyrimidine hydrobromide
CasNumber: 1187931-22-1
MolecularFormula: C4H4Br2N2
MolecularWeight: 239.896
MdlNumber: MFCD12913811
Smiles: Brc1ccncn1.Br
Complexity: 57.7
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AB51642
ChemicalName:
4-Bromopyrimidine hydrobromide
CasNumber:
1187931-22-1
MolecularFormula:
C4H4Br2N2
MolecularWeight:
239.896
MdlNumber:
MFCD12913811
Smiles:
Brc1ccncn1.Br
Complexity:
57.7
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__