200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 206191-49-3
206191-49-3 | Carbamic acid, [(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)propyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 206191-49-3 Catalog No: AG002AKT MDL No:
Product Description
Catalog Number:
AG002AKT
Chemical Name:
Carbamic acid, [(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)propyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
206191-49-3
Molecular Formula:
C14H25NO6
Molecular Weight:
303.3514
IUPAC Name:
tert-butyl N-[(1S,2R)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propyl]carbamate
InChI:
InChI=1S/C14H25NO6/c1-9(16)10(15-11(17)21-12(2,3)4)14-18-6-13(5,7-19-14)8-20-14/h9-10,16H,6-8H2,1-5H3,(H,15,17)/t9-,10+,13?,14?/m1/s1
InChI Key:
QWNFBCIGWLGERA-JZNMGUDDSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C12OCC(CO1)(CO2)C)[C@H](O)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
303.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.355g/mol
Monoisotopic Mass:
303.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.