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114315-34-3 | 4,7,11,14-Tetrathiaheptadecanedioic acid, 9-hydroxy-
CAS No: 114315-34-3 Catalog No: AG000B1U MDL No:
Product Description
Catalog Number:
AG000B1U
Chemical Name:
4,7,11,14-Tetrathiaheptadecanedioic acid, 9-hydroxy-
CAS Number:
114315-34-3
Molecular Formula:
C13H24O5S4
Molecular Weight:
388.5867
IUPAC Name:
3-[2-[3-[2-(2-carboxyethylsulfanyl)ethylsulfanyl]-2-hydroxypropyl]sulfanylethylsulfanyl]propanoic acid
InChI:
InChI=1S/C13H24O5S4/c14-11(9-21-7-5-19-3-1-12(15)16)10-22-8-6-20-4-2-13(17)18/h11,14H,1-10H2,(H,15,16)(H,17,18)
InChI Key:
DYGFKXDMMXHBQQ-UHFFFAOYSA-N
SMILES:
OC(CSCCSCCC(=O)O)CSCCSCCC(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.57g/mol
Monoisotopic Mass:
388.051g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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