(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid

C18H20O4 — CID 10566133

IUPAC(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C18H20O4/c19-17(13-22-12-15-9-5-2-6-10-15)16(18(20)21)11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1
InChIKeyBYYJZZKGOOWLBA-DLBZAZTESA-N
MW300.35 g/mol
LogP2.51
Rot. Bonds8

About (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid

(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid (PubChem CID 10566133) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
PubChem CID10566133
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C18H20O4/c19-17(13-22-12-15-9-5-2-6-10-15)16(18(20)21)11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1
InChIKeyBYYJZZKGOOWLBA-DLBZAZTESA-N
XLogP2.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid?
The IUPAC name of (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid (CID 10566133) is (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid.
What is the SMILES notation for (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid?
The canonical SMILES for (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid is O=C(O)[C@@H](Cc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid?
The InChIKey is BYYJZZKGOOWLBA-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20O4/c19-17(13-22-12-15-9-5-2-6-10-15)16(18(20)21)11-14-7-3-1-4-8-14/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid?
(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid has a molecular weight of 300.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 10566133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).