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77044-70-3 | Ethanesulfonic acid, 2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-, mixt. with 2-amino-2-(hydroxymethyl)-1,3-propanediol
CAS No: 77044-70-3 Catalog No: AG005EOC MDL No:
Product Description
Catalog Number:
AG005EOC
Chemical Name:
Ethanesulfonic acid, 2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-, mixt. with 2-amino-2-(hydroxymethyl)-1,3-propanediol
CAS Number:
77044-70-3
Molecular Formula:
C10H26N2O9S
Molecular Weight:
350.3864
IUPAC Name:
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
InChI:
InChI=1S/C6H15NO6S.C4H11NO3/c8-3-6(4-9,5-10)7-1-2-14(11,12)13;5-4(1-6,2-7)3-8/h7-10H,1-5H2,(H,11,12,13);6-8H,1-3,5H2
InChI Key:
WGHXGMXQBMKJQR-UHFFFAOYSA-N
SMILES:
OCC(NCCS(=O)(=O)O)(CO)CO.OCC(CO)(CO)N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
350.383g/mol
Monoisotopic Mass:
350.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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