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207516-23-2 | 3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-5-(1E)-1-pentadecen-1-yl-, 1,1-dimethylethyl ester, (4S,5R)-
CAS No: 207516-23-2 Catalog No: AG002J3R MDL No:
Product Description
Catalog Number:
AG002J3R
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-5-(1E)-1-pentadecen-1-yl-, 1,1-dimethylethyl ester, (4S,5R)-
CAS Number:
207516-23-2
Molecular Formula:
C26H49NO4
Molecular Weight:
439.6716
IUPAC Name:
tert-butyl (5R)-4-(hydroxymethyl)-2,2-dimethyl-5-[(E)-pentadec-1-enyl]-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C26H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(21-28)27(26(5,6)30-23)24(29)31-25(2,3)4/h19-20,22-23,28H,7-18,21H2,1-6H3/b20-19+/t22?,23-/m1/s1
InChI Key:
CTHUQQFNFRTUSM-NFLDGVBHSA-N
SMILES:
CCCCCCCCCCCCC/C=C/[C@H]1OC(N([C@H]1CO)C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
439.366g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.681g/mol
Monoisotopic Mass:
439.366g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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