AB49139
54960-65-5 | 4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49139
ChemicalName
4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
CasNumber
54960-65-5
MolecularFormula
C8H19NO6S
MolecularWeight
257.3046
MdlNumber
MFCD00678129
Smiles
OCC(NCCCCS(=O)(=O)O)(CO)CO
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
9
Xlogp3
-5.1
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CatalogNumber: AB49139
ChemicalName: 4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
CasNumber: 54960-65-5
MolecularFormula: C8H19NO6S
MolecularWeight: 257.3046
MdlNumber: MFCD00678129
Smiles: OCC(NCCCCS(=O)(=O)O)(CO)CO
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 9
Xlogp3: -5.1
CatalogNumber:
AB49139
ChemicalName:
4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
CasNumber:
54960-65-5
MolecularFormula:
C8H19NO6S
MolecularWeight:
257.3046
MdlNumber:
MFCD00678129
Smiles:
OCC(NCCCCS(=O)(=O)O)(CO)CO
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
9
Xlogp3:
-5.1
CatalogNumber: AB49140
ChemicalName: Methyl 5-methyloxazole-4-carboxylate
CasNumber: 41172-57-0
MolecularFormula: C6H7NO3
MolecularWeight: 141.1247
MdlNumber: MFCD08689502
Smiles: COC(=O)c1ncoc1C
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB49140
ChemicalName:
Methyl 5-methyloxazole-4-carboxylate
CasNumber:
41172-57-0
MolecularFormula:
C6H7NO3
MolecularWeight:
141.1247
MdlNumber:
MFCD08689502
Smiles:
COC(=O)c1ncoc1C
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(s1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(s1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(C(F)(F)F)(F)F
Complexity: 94.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(C(F)(F)F)(F)F
Complexity:
94.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2