(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol

C10H18O6S — CID 166449652

IUPAC(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol
SMILESC=C(C)CS(=O)(=O)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18O6S/c1-5(2)4-17(14,15)10-9(13)8(12)7(11)6(3)16-10/h6-13H,1,4H2,2-3H3/t6-,7-,8+,9+,10-/m0/s1
InChIKeyUXQIDGAOVAREPG-OEZYJKACSA-N
MW266.31 g/mol
LogP-1.20
Rot. Bonds3

About (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol

(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol (PubChem CID 166449652) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol
PubChem CID166449652
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Name(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol
SMILESC=C(C)CS(=O)(=O)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18O6S/c1-5(2)4-17(14,15)10-9(13)8(12)7(11)6(3)16-10/h6-13H,1,4H2,2-3H3/t6-,7-,8+,9+,10-/m0/s1
InChIKeyUXQIDGAOVAREPG-OEZYJKACSA-N
XLogP-1.20
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S,6R)-2-(hexylsulfonyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46894459
Beta-D-Glucopyranosylsulfonylethane
CID 42627167
(2R,3S,4R)-2-(hydroxymethyl)-6-((2-methylallyl)thio)tetrahydro-2H-pyran-3,4-diol
CID 162786700
(2R,3S,4R,5R)-2-((2-methylallyl)thio)tetrahydro-2H-pyran-3,4,5-triol
CID 162786708
(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 162786749
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-((2-methylallyl)thio)tetrahydro-2H-pyran-3,4,5-triol
CID 162786761
(2R,3S,4R)-2-(hydroxymethyl)-5-((2-methylallyl)sulfonyl)tetrahydrofuran-3,4-diol
CID 166449608
(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-((2-methylallyl)sulfonyl)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 166449616
(2R,3S,4R,5R)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 166449622
(2R,3S,4S,5R)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 166449626
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 166449643
(2S,3R,4S,5R)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 166449651

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol (CID 166449652) is (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol is C=C(C)CS(=O)(=O)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol?
The InChIKey is UXQIDGAOVAREPG-OEZYJKACSA-N. The full InChI is InChI=1S/C10H18O6S/c1-5(2)4-17(14,15)10-9(13)8(12)7(11)6(3)16-10/h6-13H,1,4H2,2-3H3/t6-,7-,8+,9+,10-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol has a molecular weight of 266.31 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-methyl-6-(2-methylprop-2-enylsulfonyl)oxane-3,4,5-triol is sourced from PubChem (CID 166449652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).