(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one

C19H20O6S — CID 10872507

IUPAC(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)C[C@H]([C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C19H20O6S/c20-17-12-15(26(23,24)14-9-5-2-6-10-14)11-16(25-17)19(22)18(21)13-7-3-1-4-8-13/h1-10,15-16,18-19,21-22H,11-12H2/t15?,16-,18-,19+/m1/s1
InChIKeyNXQRNIVNPAGCGB-MHGPCZNRSA-N
MW376.43 g/mol
LogP1.63
Rot. Bonds5

About (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one

(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one (PubChem CID 10872507) has the molecular formula C19H20O6S and a molecular weight of 376.43 g/mol. Its IUPAC name is (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one
PubChem CID10872507
Molecular FormulaC19H20O6S
Molecular Weight376.43 g/mol
Exact Mass376.10
IUPAC Name(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)C[C@H]([C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C19H20O6S/c20-17-12-15(26(23,24)14-9-5-2-6-10-14)11-16(25-17)19(22)18(21)13-7-3-1-4-8-13/h1-10,15-16,18-19,21-22H,11-12H2/t15?,16-,18-,19+/m1/s1
InChIKeyNXQRNIVNPAGCGB-MHGPCZNRSA-N
XLogP1.63
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one with MolForge

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Related Compounds

tert-butyl (2S,3R)-3-(benzenesulfonyl)-2-[(S)-hydroxy(phenyl)methyl]butanoate
CID 10524449
4-(Benzenesulfonyl)-6-phenyloxan-2-one
CID 14056125
5-(Benzenesulfonyl)-6-phenyloxan-2-one
CID 15920907
methyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 101949358
ethyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 101949359
tert-butyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 101949361
[(1S,2R,3S)-1-(benzenesulfonyl)-2,3-dihydroxy-3-phenylpropyl] acetate
CID 102182708
Tosylglycerol benzoate
CID 129727157
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

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one?
The IUPAC name of (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one (CID 10872507) is (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one.
What is the SMILES notation for (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one?
The canonical SMILES for (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one is O=C1CC(S(=O)(=O)c2ccccc2)C[C@H]([C@H](O)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one?
The InChIKey is NXQRNIVNPAGCGB-MHGPCZNRSA-N. The full InChI is InChI=1S/C19H20O6S/c20-17-12-15(26(23,24)14-9-5-2-6-10-14)11-16(25-17)19(22)18(21)13-7-3-1-4-8-13/h1-10,15-16,18-19,21-22H,11-12H2/t15?,16-,18-,19+/m1/s1.
What are the key properties of (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one?
(6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one has a molecular weight of 376.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(benzenesulfonyl)-6-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]oxan-2-one is sourced from PubChem (CID 10872507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).