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89248-95-3 | 4-Oxazolidineheptanoic acid, 3-[3-hydroxy-5-(2-thienyl)pentyl]-2-oxo-
CAS No: 89248-95-3 Catalog No: AG0042GS MDL No:
Product Description
Catalog Number:
AG0042GS
Chemical Name:
4-Oxazolidineheptanoic acid, 3-[3-hydroxy-5-(2-thienyl)pentyl]-2-oxo-
CAS Number:
89248-95-3
Molecular Formula:
C19H29NO5S
Molecular Weight:
383.5023
IUPAC Name:
7-[3-(3-hydroxy-5-thiophen-2-ylpentyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
InChI:
InChI=1S/C19H29NO5S/c21-16(9-10-17-7-5-13-26-17)11-12-20-15(14-25-19(20)24)6-3-1-2-4-8-18(22)23/h5,7,13,15-16,21H,1-4,6,8-12,14H2,(H,22,23)
InChI Key:
QZDQGJJRMDKXOK-UHFFFAOYSA-N
SMILES:
OC(CCc1cccs1)CCN1C(CCCCCCC(=O)O)COC1=O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.177g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.503g/mol
Monoisotopic Mass:
383.177g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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