AA00608
100037-69-2 | Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)
Manufacturer: A2B Chem
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CatalogNumber
AA00608
ChemicalName
Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)
CasNumber
100037-69-2
MolecularFormula
C16H33N4Na3O12S4
MolecularWeight
670.6821
MdlNumber
MFCD00066393
Smiles
[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+].[Na+].[Na+]
Complexity
798
Covalently-bondedUnitCount
5
HeavyAtomCount
39
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
1
RotatableBondCount
9
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CatalogNumber: AA00608
ChemicalName: Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)
CasNumber: 100037-69-2
MolecularFormula: C16H33N4Na3O12S4
MolecularWeight: 670.6821
MdlNumber: MFCD00066393
Smiles: [O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+].[Na+].[Na+]
Complexity: 798
Covalently-bondedUnitCount: 5
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 1
RotatableBondCount: 9
CatalogNumber:
AA00608
ChemicalName:
Sodium 1,1'-(piperazine-1,4-diyl)diethanesulfonate 1-(4-(1-sulfoethyl)piperazin-1-yl)ethanesulfonate(3:2)
CasNumber:
100037-69-2
MolecularFormula:
C16H33N4Na3O12S4
MolecularWeight:
670.6821
MdlNumber:
MFCD00066393
Smiles:
[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+].[Na+].[Na+]
Complexity:
798
Covalently-bondedUnitCount:
5
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
1
RotatableBondCount:
9
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Smiles: CCOC(=O)c1c(=O)oc2c(c1O)cccc2O
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CCOC(=O)c1c(=O)oc2c(c1O)cccc2O
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CCOC(=O)c1c(=O)oc2c(c1O)ccc(c2)O
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Smiles: CCOC(=O)c1c(=O)oc2c(c1O)cc(cc2)O
Complexity: __
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MolecularFormula:
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Smiles:
CCOC(=O)c1c(=O)oc2c(c1O)cc(cc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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