(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol

C12H16O6S — CID 10880727

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol
SMILESO=[S@@](c1ccccc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+,19+/m1/s1
InChIKeyBMAUZTXADWHSCZ-FQVMVQHUSA-N
MW288.32 g/mol
LogP-1.41
Rot. Bonds3

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol (PubChem CID 10880727) has the molecular formula C12H16O6S and a molecular weight of 288.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol
PubChem CID10880727
Molecular FormulaC12H16O6S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol
SMILESO=[S@@](c1ccccc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+,19+/m1/s1
InChIKeyBMAUZTXADWHSCZ-FQVMVQHUSA-N
XLogP-1.41
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol with MolForge

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Related Compounds

(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
phenyl-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methanone
CID 146166302
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
CID 10979933
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol (CID 10880727) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol is O=[S@@](c1ccccc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol?
The InChIKey is BMAUZTXADWHSCZ-FQVMVQHUSA-N. The full InChI is InChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12+,19+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol has a molecular weight of 288.32 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(S)-phenylsulfinyl]oxane-3,4,5-triol is sourced from PubChem (CID 10880727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).