(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol

C12H22O11S — CID 10915727

IUPAC(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(=O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@@H](O)[C@H](O)O[C@@H]1CO
InChIInChI=1S/C12H22O11S/c13-2-5-7(1-4(15)11(19)22-5)24(20,21)12-10(18)9(17)8(16)6(3-14)23-12/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11-,12+/m1/s1
InChIKeyRHOUBVBJKKYMKU-SYYDLXQQSA-N
MW374.36 g/mol
LogP-4.97
Rot. Bonds4

About (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10915727) has the molecular formula C12H22O11S and a molecular weight of 374.36 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10915727
Molecular FormulaC12H22O11S
Molecular Weight374.36 g/mol
Exact Mass374.09
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(=O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@@H](O)[C@H](O)O[C@@H]1CO
InChIInChI=1S/C12H22O11S/c13-2-5-7(1-4(15)11(19)22-5)24(20,21)12-10(18)9(17)8(16)6(3-14)23-12/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11-,12+/m1/s1
InChIKeyRHOUBVBJKKYMKU-SYYDLXQQSA-N
XLogP-4.97
TPSA194.21 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500374.36
LogP ≤ 5-4.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
CID 70361694
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10915727) is (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is O=S(=O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1C[C@@H](O)[C@H](O)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is RHOUBVBJKKYMKU-SYYDLXQQSA-N. The full InChI is InChI=1S/C12H22O11S/c13-2-5-7(1-4(15)11(19)22-5)24(20,21)12-10(18)9(17)8(16)6(3-14)23-12/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 374.36 g/mol, XLogP of -4.97, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).