(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H14O6S — CID 91597627

IUPAC(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESO=S(=O)(c1ccccc1)[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14O6S/c12-6-8-9(13)10(14)11(17-8)18(15,16)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10+,11-/m1/s1
InChIKeyQFEMHARVTMAFIB-VPOLOUISSA-N
MW274.29 g/mol
LogP-1.10
Rot. Bonds3

About (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 91597627) has the molecular formula C11H14O6S and a molecular weight of 274.29 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID91597627
Molecular FormulaC11H14O6S
Molecular Weight274.29 g/mol
Exact Mass274.05
IUPAC Name(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESO=S(=O)(c1ccccc1)[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14O6S/c12-6-8-9(13)10(14)11(17-8)18(15,16)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10+,11-/m1/s1
InChIKeyQFEMHARVTMAFIB-VPOLOUISSA-N
XLogP-1.10
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl thio-beta-D-galactopyranoside
CID 2802071
(1R,2R,3S,5R)-2-(benzenesulfonyl)-6-oxabicyclo[3.1.0]hexan-3-ol
CID 340332
(3R,4S,5S)-5-[(4-fluorophenyl)sulfanylmethyl]oxolane-2,3,4-triol
CID 46875261
(3R,4S,5S)-5-[(4-iodophenyl)sulfanylmethyl]oxolane-2,3,4-triol
CID 46875291
4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide
CID 168266201
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(2S,3S,4S,5S,6S)-2-(benzenesulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 127028585
4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbenzenesulfonamide
CID 172453855
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfonylbenzenesulfonamide
CID 172462046

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 91597627) is (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol is O=S(=O)(c1ccccc1)[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is QFEMHARVTMAFIB-VPOLOUISSA-N. The full InChI is InChI=1S/C11H14O6S/c12-6-8-9(13)10(14)11(17-8)18(15,16)7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 274.29 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 91597627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).