9597-18-4 Purity
96%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C13H21NO5.
The molecular weight is 271.31 g/mol.
The IUPAC name is ethyl (1R,2R,3R,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate.
The InChI is InChI=1S/C13H21NO5/c1-5-17-11(15)7-6-8-10(18-8)9(7)14-12(16)19-13(2,3)4/h7-10H,5-6H2,1-4H3,(H,14,16)/t7-,8+,9-,10+/m1/s1.
The InChIKey is BVJJICVWJDHURF-RGOKHQFPSA-N.
The Canonical SMILES is CCOC(=O)C1CC2C(C1NC(=O)OC(C)(C)C)O2.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The compound has 6 rotatable bond counts.
Yes, the compound is canonicalized.