AI07396
108321-42-2 | G418 Disulfate
Manufacturer: A2B Chem
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CatalogNumber
AI07396
ChemicalName
G418 Disulfate
CasNumber
108321-42-2
MolecularFormula
C20H44N4O18S2
MolecularWeight
692.7093600000002
MdlNumber
MFCD05664725
Smiles
OS(=O)(=O)O.OS(=O)(=O)O.CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)N
Complexity
763
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
14
HeavyAtomCount
44
HydrogenBondAcceptorCount
22
HydrogenBondDonorCount
14
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI07396
ChemicalName: G418 Disulfate
CasNumber: 108321-42-2
MolecularFormula: C20H44N4O18S2
MolecularWeight: 692.7093600000002
MdlNumber: MFCD05664725
Smiles: OS(=O)(=O)O.OS(=O)(=O)O.CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)N
Complexity: 763
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 14
HeavyAtomCount: 44
HydrogenBondAcceptorCount: 22
HydrogenBondDonorCount: 14
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI07396
ChemicalName:
G418 Disulfate
CasNumber:
108321-42-2
MolecularFormula:
C20H44N4O18S2
MolecularWeight:
692.7093600000002
MdlNumber:
MFCD05664725
Smiles:
OS(=O)(=O)O.OS(=O)(=O)O.CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)N
Complexity:
763
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
14
HeavyAtomCount:
44
HydrogenBondAcceptorCount:
22
HydrogenBondDonorCount:
14
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.O=C([C@H](Cc1ccccc1)N)Nc1ccc2c(c1)oc(=O)cc2C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(F)(F)F.O=C([C@H](Cc1ccccc1)N)Nc1ccc2c(c1)oc(=O)cc2C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: Cc1conc1C=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1conc1C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN=c1[nH]ccn1C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN=c1[nH]ccn1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__