(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol

C10H20O4S — CID 70675474

IUPAC(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
SMILESCC(C)(C)O[C@H]1C[C@@H](S)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H20O4S/c1-10(2,3)14-8-4-7(15)9(12)6(5-11)13-8/h6-9,11-12,15H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyPUDWDSZYVFRJSA-LURQLKTLSA-N
MW236.33 g/mol
LogP0.57
Rot. Bonds2

About (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol

(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol (PubChem CID 70675474) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
PubChem CID70675474
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol
SMILESCC(C)(C)O[C@H]1C[C@@H](S)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H20O4S/c1-10(2,3)14-8-4-7(15)9(12)6(5-11)13-8/h6-9,11-12,15H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKeyPUDWDSZYVFRJSA-LURQLKTLSA-N
XLogP0.57
TPSA58.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 11160276
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(3S,4R,6R)-2-(hydroxymethyl)-5-methyl-6-[(2-methylpropan-2-yl)oxy]oxane-3,4-diol
CID 158602862
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
(2R,4S,5S)-2-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174111415
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155283405
[4-hydroxy-6-(hydroxymethyl)-2,5-bis[(2-methylpropan-2-yl)oxy]oxan-3-yl]azanium
CID 153303924
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylpropan-2-yloxy)oxane-3,4,5-triol
CID 87182324

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol?
The IUPAC name of (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol (CID 70675474) is (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol.
What is the SMILES notation for (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol?
The canonical SMILES for (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol is CC(C)(C)O[C@H]1C[C@@H](S)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol?
The InChIKey is PUDWDSZYVFRJSA-LURQLKTLSA-N. The full InChI is InChI=1S/C10H20O4S/c1-10(2,3)14-8-4-7(15)9(12)6(5-11)13-8/h6-9,11-12,15H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol?
(2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol has a molecular weight of 236.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]-4-sulfanyloxan-3-ol is sourced from PubChem (CID 70675474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).