(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid

C10H12O4 — CID 123932531

IUPAC(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
SMILESO=C(O)[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C10H12O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyABBFZHZFAJYLDP-BDAKNGLRSA-N
MW196.20 g/mol
LogP0.04
Rot. Bonds4

About (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid

(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid (PubChem CID 123932531) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
PubChem CID123932531
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
SMILESO=C(O)[C@@H](O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C10H12O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyABBFZHZFAJYLDP-BDAKNGLRSA-N
XLogP0.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
(5R)-1-(4-chlorophenyl)-2,5,6-trihydroxy-7-phenylheptane-3,4-dione
CID 54060479
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(3S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2,3-dihydroxy-5-oxohexanoic acid
CID 174357096
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
3-benzyl-4-ethoxy-2-hydroxy-4-oxobutanoic acid
CID 69330508
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid?
The IUPAC name of (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid (CID 123932531) is (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid.
What is the SMILES notation for (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid?
The canonical SMILES for (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid is O=C(O)[C@@H](O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid?
The InChIKey is ABBFZHZFAJYLDP-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid?
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid has a molecular weight of 196.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid is sourced from PubChem (CID 123932531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).