135970-30-8 Purity
98%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C14H19NNa2O14S.
The molecular weight is 503.3 g/mol.
The IUPAC Name is disodium;2-[3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.
The InChI is InChI=1S/C14H21NO14S.2Na/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21;;/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25);;/q;2*+1/p-2.
The Canonical SMILES is CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])O)OC2C(C(C=C(O2)C(=O)[O-])O)O.[Na+].[Na+].
It has 5 hydrogen bond donor counts.
It has 14 hydrogen bond acceptor counts.
It has 5 rotatable bond counts.
The exact mass is 503.03216402 g/mol.
Yes, it is a canonicalized compound.