bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate

C20H22O6 — CID 70936130

IUPACbis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
SMILESO=C(OCCc1ccccc1)[C@@H](O)[C@H](O)C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22O6/c21-17(19(23)25-13-11-15-7-3-1-4-8-15)18(22)20(24)26-14-12-16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-/m0/s1
InChIKeyFOOKSOWEDRZEBZ-ROUUACIJSA-N
MW358.39 g/mol
LogP1.28
Rot. Bonds9

About bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate

bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate (PubChem CID 70936130) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
PubChem CID70936130
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namebis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
SMILESO=C(OCCc1ccccc1)[C@@H](O)[C@H](O)C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22O6/c21-17(19(23)25-13-11-15-7-3-1-4-8-15)18(22)20(24)26-14-12-16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-/m0/s1
InChIKeyFOOKSOWEDRZEBZ-ROUUACIJSA-N
XLogP1.28
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-2,3-dihydroxy-4-oxo-4-(3-phenylpropoxy)butanoic acid
CID 141000752
2-bromo-3-oxo-3-(2-phenylethoxy)propanoic acid
CID 88766857
2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
2-phenylethyl acetate
CID 7654
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
4-oxo-4-(2-phenylethoxy)-3-sulfanylbutanoic acid
CID 154324470
acetic acid;2-phenylethyl acetate
CID 174791962
2-phenylethyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370832
2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
4-O-benzyl 1-O-(2-phenylethyl) (2R)-2-aminobutanedioate
CID 125471458
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846

Frequently Asked Questions

What is the IUPAC name of bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate (CID 70936130) is bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate is O=C(OCCc1ccccc1)[C@@H](O)[C@H](O)C(=O)OCCc1ccccc1.
What is the InChIKey of bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate?
The InChIKey is FOOKSOWEDRZEBZ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H22O6/c21-17(19(23)25-13-11-15-7-3-1-4-8-15)18(22)20(24)26-14-12-16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-/m0/s1.
What are the key properties of bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate?
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate has a molecular weight of 358.39 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 70936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).