(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid

C20H24O3S — CID 13105333

IUPAC(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid
SMILESO=C(O)CCC[C@@H](O)[C@@H](CCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H24O3S/c21-18(12-7-13-20(22)23)19(24-17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyBHCJHJOPHQKICL-RTBURBONSA-N
MW344.48 g/mol
LogP4.40
Rot. Bonds10

About (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid

(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid (PubChem CID 13105333) has the molecular formula C20H24O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid.

Molecular Properties

Compound Name(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid
PubChem CID13105333
Molecular FormulaC20H24O3S
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid
SMILESO=C(O)CCC[C@@H](O)[C@@H](CCc1ccccc1)Sc1ccccc1
InChIInChI=1S/C20H24O3S/c21-18(12-7-13-20(22)23)19(24-17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyBHCJHJOPHQKICL-RTBURBONSA-N
XLogP4.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminophenyl)sulfanyl-1-phenylnonan-4-ol;hexanoic acid;hydrate
CID 70413087
(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
CID 20588555
7-phenyl-3-phenylsulfanylheptanoic acid
CID 18790157
15-phenylpentadecanoic acid
CID 2737151
5-[2-(8-phenyloctyl)phenyl]nonanedioic acid
CID 57285894
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
1-phenyl-4-phenylsulfanylpentan-3-one
CID 134935307
4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
CID 11572902
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
lanthanum;3-phenylpropanoic acid
CID 174887955
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
3-hydroxy-4-phenylsulfanylpentanoic acid
CID 142656937

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid?
The IUPAC name of (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid (CID 13105333) is (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid.
What is the SMILES notation for (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid?
The canonical SMILES for (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid is O=C(O)CCC[C@@H](O)[C@@H](CCc1ccccc1)Sc1ccccc1.
What is the InChIKey of (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid?
The InChIKey is BHCJHJOPHQKICL-RTBURBONSA-N. The full InChI is InChI=1S/C20H24O3S/c21-18(12-7-13-20(22)23)19(24-17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-6,8-11,18-19,21H,7,12-15H2,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid?
(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid has a molecular weight of 344.48 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid is sourced from PubChem (CID 13105333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).