[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol

C10H20O2S — CID 58400119

IUPAC[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol
SMILESCS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8?,9?,10-/m0/s1
InChIKeyBNMLEGNUQDQKFZ-JKSRKLNQSA-N
MW204.33 g/mol
LogP1.97
Rot. Bonds2

About [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol

[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol (PubChem CID 58400119) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol
PubChem CID58400119
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol
SMILESCS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8?,9?,10-/m0/s1
InChIKeyBNMLEGNUQDQKFZ-JKSRKLNQSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol?
The IUPAC name of [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol (CID 58400119) is [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol.
What is the SMILES notation for [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol?
The canonical SMILES for [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol is CS[C@@H]1OC(CO)[C@H](C)[C@H](C)C1C.
What is the InChIKey of [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol?
The InChIKey is BNMLEGNUQDQKFZ-JKSRKLNQSA-N. The full InChI is InChI=1S/C10H20O2S/c1-6-7(2)9(5-11)12-10(13-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7+,8?,9?,10-/m0/s1.
What are the key properties of [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol?
[(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol has a molecular weight of 204.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,6S)-3,4,5-trimethyl-6-methylsulfanyloxan-2-yl]methanol is sourced from PubChem (CID 58400119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).