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Home > Other Heterocycles > 206191-48-2
206191-48-2 | Carbamic acid, N-[(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)propyl]-, phenylmethyl ester
CAS No: 206191-48-2 Catalog No: AG002AKU MDL No:
Product Description
Catalog Number:
AG002AKU
Chemical Name:
Carbamic acid, N-[(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)propyl]-, phenylmethyl ester
CAS Number:
206191-48-2
Molecular Formula:
C17H23NO6
Molecular Weight:
337.3676
IUPAC Name:
benzyl N-[(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propyl]carbamate
InChI:
InChI=1S/C17H23NO6/c1-12(19)14(17-22-9-16(2,10-23-17)11-24-17)18-15(20)21-8-13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H,18,20)/t12-,14+,16?,17?/m1/s1
InChI Key:
AHCRMALSISJSIP-GCAGUQRRSA-N
SMILES:
C[C@H]([C@@H](C12OCC(CO1)(CO2)C)NC(=O)OCc1ccccc1)O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
337.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.372g/mol
Monoisotopic Mass:
337.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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