(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid

C15H14O3S — CID 11550833

IUPAC(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
SMILESO=C(O)[C@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-13(15(17)18)14(11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)/t13-,14-/m1/s1
InChIKeySHHHUWLRMJZRGE-ZIAGYGMSSA-N
MW274.34 g/mol
LogP2.97
Rot. Bonds5

About (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid

(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid (PubChem CID 11550833) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
PubChem CID11550833
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
SMILESO=C(O)[C@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-13(15(17)18)14(11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)/t13-,14-/m1/s1
InChIKeySHHHUWLRMJZRGE-ZIAGYGMSSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-methyl-3-phenyl-3-phenylsulfanylpropanoic acid
CID 95989478
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
methyl (2S,3S)-2-[hydroxy(phenyl)methyl]-3-phenyl-3-phenylsulfanylpropanoate
CID 100933049
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(1R,2S)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787942
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
CID 46210919
(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787941
3-[(R)-(4-methylphenyl)sulfanyl-phenylmethyl]pentane-2,4-dione
CID 784681
(2S,3R)-2-hydroxy-3-phenylsulfanylheptanoic acid
CID 10682384

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid?
The IUPAC name of (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid (CID 11550833) is (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid.
What is the SMILES notation for (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid?
The canonical SMILES for (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid is O=C(O)[C@H](O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid?
The InChIKey is SHHHUWLRMJZRGE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H14O3S/c16-13(15(17)18)14(11-7-3-1-4-8-11)19-12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid?
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid has a molecular weight of 274.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid is sourced from PubChem (CID 11550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).