(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol

C7H14O5S — CID 23730207

IUPAC(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S
InChIInChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
InChIKeyVHSKYAXEXJLKPC-VOQCIKJUSA-N
MW210.25 g/mol
LogP-1.63
Rot. Bonds2

About (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol (PubChem CID 23730207) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
PubChem CID23730207
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S
InChIInChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
InChIKeyVHSKYAXEXJLKPC-VOQCIKJUSA-N
XLogP-1.63
TPSA79.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol
CID 132600593
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol (CID 23730207) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol?
The InChIKey is VHSKYAXEXJLKPC-VOQCIKJUSA-N. The full InChI is InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol has a molecular weight of 210.25 g/mol, XLogP of -1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-sulfanyloxane-3,4-diol is sourced from PubChem (CID 23730207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).