90775-10-3 Purity
96%
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The molecular formula of Beta-methyl vinyl phosphate is C29H27N2O10P.
The molecular weight of Beta-methyl vinyl phosphate is 594.5 g/mol.
The IUPAC name of Beta-methyl vinyl phosphate is (4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
The Canonical SMILES representation of Beta-methyl vinyl phosphate is CC1C2C(C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O.
There is 1 hydrogen bond donor count in Beta-methyl vinyl phosphate.
There are 10 hydrogen bond acceptor counts in Beta-methyl vinyl phosphate.
The exact mass of Beta-methyl vinyl phosphate is 594.14033206 g/mol.
There are 11 rotatable bond counts in Beta-methyl vinyl phosphate.
The XLogP3-AA value of Beta-methyl vinyl phosphate is 4.8.
The topological polar surface area of Beta-methyl vinyl phosphate is 157 Å2.