(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol

C10H18O7S — CID 154497810

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
SMILESC[S@@](=O)/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O7S/c1-18(15)4-2-3-16-10-9(14)8(13)7(12)6(5-11)17-10/h2,4,6-14H,3,5H2,1H3/b4-2+/t6-,7-,8+,9-,10-,18-/m1/s1
InChIKeyBODMIDYRRVYSOA-YXDBKNJJSA-N
MW282.31 g/mol
LogP-2.30
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol (PubChem CID 154497810) has the molecular formula C10H18O7S and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
PubChem CID154497810
Molecular FormulaC10H18O7S
Molecular Weight282.31 g/mol
Exact Mass282.08
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol
SMILESC[S@@](=O)/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O7S/c1-18(15)4-2-3-16-10-9(14)8(13)7(12)6(5-11)17-10/h2,4,6-14H,3,5H2,1H3/b4-2+/t6-,7-,8+,9-,10-,18-/m1/s1
InChIKeyBODMIDYRRVYSOA-YXDBKNJJSA-N
XLogP-2.30
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,4S,5S)-2-[(Z)-but-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140652154
2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetaldehyde
CID 102054484
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
1-deuterio-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 140976420
2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanethial
CID 54766518
2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanethial
CID 54766672
(3S)-3-methyl-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-one
CID 149308529
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-non-2-enoxy]oxane-3,4,5-triol
CID 101197707
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol (CID 154497810) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol is C[S@@](=O)/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol?
The InChIKey is BODMIDYRRVYSOA-YXDBKNJJSA-N. The full InChI is InChI=1S/C10H18O7S/c1-18(15)4-2-3-16-10-9(14)8(13)7(12)6(5-11)17-10/h2,4,6-14H,3,5H2,1H3/b4-2+/t6-,7-,8+,9-,10-,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol has a molecular weight of 282.31 g/mol, XLogP of -2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(R)-methylsulfinyl]prop-2-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 154497810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).