(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid

C16H14O6 — CID 101336800

IUPAC(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
SMILESO=C(O)[C@](O)(c1ccccc1)[C@](O)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O6/c17-13(18)15(21,11-7-3-1-4-8-11)16(22,14(19)20)12-9-5-2-6-10-12/h1-10,21-22H,(H,17,18)(H,19,20)/t15-,16-/m1/s1
InChIKeyKUDFYMVTRILOHI-HZPDHXFCSA-N
MW302.28 g/mol
LogP0.93
Rot. Bonds5

About (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid

(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid (PubChem CID 101336800) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
PubChem CID101336800
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
SMILESO=C(O)[C@](O)(c1ccccc1)[C@](O)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O6/c17-13(18)15(21,11-7-3-1-4-8-11)16(22,14(19)20)12-9-5-2-6-10-12/h1-10,21-22H,(H,17,18)(H,19,20)/t15-,16-/m1/s1
InChIKeyKUDFYMVTRILOHI-HZPDHXFCSA-N
XLogP0.93
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoic acid
CID 57038280
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
CID 161419410
CID 161419410
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2,3,3-trihydroxy-2-phenyloctadecanoic acid
CID 67655490
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-hydroxy-2-phenylpropanebis(thioic S-acid)
CID 54385929
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
diphenylmethanediol;dihydrochloride
CID 174953837

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid?
The IUPAC name of (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid (CID 101336800) is (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid.
What is the SMILES notation for (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid?
The canonical SMILES for (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid is O=C(O)[C@](O)(c1ccccc1)[C@](O)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid?
The InChIKey is KUDFYMVTRILOHI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14O6/c17-13(18)15(21,11-7-3-1-4-8-11)16(22,14(19)20)12-9-5-2-6-10-12/h1-10,21-22H,(H,17,18)(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid?
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid has a molecular weight of 302.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid is sourced from PubChem (CID 101336800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).