(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane

C14H26O7S — CID 162786749

IUPAC(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane
SMILESC=C(C)CS(=O)(=O)C1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C14H26O7S/c1-9(2)8-22(15,16)14-13(20-6)12(19-5)11(18-4)10(21-14)7-17-3/h10-14H,1,7-8H2,2-6H3/t10-,11-,12+,13-,14?/m1/s1
InChIKeyWXMNZFOPPYUQNZ-RQICVUQASA-N
MW338.42 g/mol
LogP0.39
Rot. Bonds8

About (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane

(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane (PubChem CID 162786749) has the molecular formula C14H26O7S and a molecular weight of 338.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane
PubChem CID162786749
Molecular FormulaC14H26O7S
Molecular Weight338.42 g/mol
Exact Mass338.14
IUPAC Name(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane
SMILESC=C(C)CS(=O)(=O)C1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C14H26O7S/c1-9(2)8-22(15,16)14-13(20-6)12(19-5)11(18-4)10(21-14)7-17-3/h10-14H,1,7-8H2,2-6H3/t10-,11-,12+,13-,14?/m1/s1
InChIKeyWXMNZFOPPYUQNZ-RQICVUQASA-N
XLogP0.39
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane?
The IUPAC name of (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane (CID 162786749) is (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane is C=C(C)CS(=O)(=O)C1O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane?
The InChIKey is WXMNZFOPPYUQNZ-RQICVUQASA-N. The full InChI is InChI=1S/C14H26O7S/c1-9(2)8-22(15,16)14-13(20-6)12(19-5)11(18-4)10(21-14)7-17-3/h10-14H,1,7-8H2,2-6H3/t10-,11-,12+,13-,14?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane?
(2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane has a molecular weight of 338.42 g/mol, XLogP of 0.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-(2-methylprop-2-enylsulfonyl)oxane is sourced from PubChem (CID 162786749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).