(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

C19H20O7S — CID 11143673

IUPAC(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)[C@@H]([C@@H](O)[C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C19H20O7S/c20-15-11-14(27(24,25)13-9-5-2-6-10-13)19(26-15)18(23)17(22)16(21)12-7-3-1-4-8-12/h1-10,14,16-19,21-23H,11H2/t14?,16-,17-,18+,19+/m1/s1
InChIKeyUAXGPCVFJLZASA-UMAJGDAASA-N
MW392.43 g/mol
LogP0.60
Rot. Bonds6

About (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one

(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one (PubChem CID 11143673) has the molecular formula C19H20O7S and a molecular weight of 392.43 g/mol. Its IUPAC name is (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
PubChem CID11143673
Molecular FormulaC19H20O7S
Molecular Weight392.43 g/mol
Exact Mass392.09
IUPAC Name(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)[C@@H]([C@@H](O)[C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C19H20O7S/c20-15-11-14(27(24,25)13-9-5-2-6-10-13)19(26-15)18(23)17(22)16(21)12-7-3-1-4-8-12/h1-10,14,16-19,21-23H,11H2/t14?,16-,17-,18+,19+/m1/s1
InChIKeyUAXGPCVFJLZASA-UMAJGDAASA-N
XLogP0.60
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one with MolForge

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Related Compounds

tert-butyl (2S,3R)-3-(benzenesulfonyl)-2-[(S)-hydroxy(phenyl)methyl]butanoate
CID 10524449
[(2S,4S,5R)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol
CID 11278576
[(2S,4R,5S)-4-(benzenesulfonyl)-5-phenyloxolan-2-yl]methanol
CID 11381571
4-(Benzenesulfonyl)-5-phenyloxolan-2-one
CID 13865192
[(1S,2R,3S)-1-(benzenesulfonyl)-2,3-dihydroxy-3-phenylpropyl] acetate
CID 102182708
ethyl 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-dihydroxypropyl]-4-methoxyoxolan-2-yl]acetate
CID 132528216
ethyl 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 134844706
ethyl 2-[(2R,3R,4R,5R)-3-(benzenesulfonylmethyl)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 134844707
ethyl 2-[(3R,4R,5R)-3-(benzenesulfonylmethyl)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 134844708
Methyl 3-(benzenesulfonyl)-4-hydroxy-4-phenylbutanoate
CID 134872548
5-Hydroxy-8-phenyl-6-phenylsulphonyloctanoic acid
CID 13105344
(5R,6R)-6-(benzenesulfonyl)-5-hydroxy-8-phenyloctanoic acid
CID 13105345

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one?
The IUPAC name of (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one (CID 11143673) is (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one.
What is the SMILES notation for (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one?
The canonical SMILES for (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one is O=C1CC(S(=O)(=O)c2ccccc2)[C@@H]([C@@H](O)[C@H](O)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one?
The InChIKey is UAXGPCVFJLZASA-UMAJGDAASA-N. The full InChI is InChI=1S/C19H20O7S/c20-15-11-14(27(24,25)13-9-5-2-6-10-13)19(26-15)18(23)17(22)16(21)12-7-3-1-4-8-12/h1-10,14,16-19,21-23H,11H2/t14?,16-,17-,18+,19+/m1/s1.
What are the key properties of (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one?
(5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one has a molecular weight of 392.43 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(benzenesulfonyl)-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one is sourced from PubChem (CID 11143673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).