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1006891-33-3 | 2H-Pyran-4-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (3R,4R)-rel-
CAS No: 1006891-33-3 Catalog No: AG0002MM MDL No:
Product Description
Catalog Number:
AG0002MM
Chemical Name:
2H-Pyran-4-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-, (3R,4R)-rel-
CAS Number:
1006891-33-3
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
IUPAC Name:
(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-6-16-5-4-7(8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChI Key:
TXFHSATYMSUPRM-SFYZADRCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1COCC[C@H]1C(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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