(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol

C10H18O4S — CID 162786700

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol
SMILESC=C(C)CSC1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H18O4S/c1-6(2)5-15-9-3-7(12)10(13)8(4-11)14-9/h7-13H,1,3-5H2,2H3/t7-,8-,9?,10+/m1/s1
InChIKeySRMAICNYLATZCA-VYQDEHIVSA-N
MW234.32 g/mol
LogP0.12
Rot. Bonds4

About (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol (PubChem CID 162786700) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol
PubChem CID162786700
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol
SMILESC=C(C)CSC1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H18O4S/c1-6(2)5-15-9-3-7(12)10(13)8(4-11)14-9/h7-13H,1,3-5H2,2H3/t7-,8-,9?,10+/m1/s1
InChIKeySRMAICNYLATZCA-VYQDEHIVSA-N
XLogP0.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol (CID 162786700) is (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol is C=C(C)CSC1C[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol?
The InChIKey is SRMAICNYLATZCA-VYQDEHIVSA-N. The full InChI is InChI=1S/C10H18O4S/c1-6(2)5-15-9-3-7(12)10(13)8(4-11)14-9/h7-13H,1,3-5H2,2H3/t7-,8-,9?,10+/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol has a molecular weight of 234.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4-diol is sourced from PubChem (CID 162786700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).