(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol

C9H18O4S — CID 16757115

IUPAC(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol
SMILESCC(C)S[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O4S/c1-4(2)14-9-8(12)7(11)6(10)5(3)13-9/h4-12H,1-3H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyXFFLZPIRZAJGMY-ABXGFROZSA-N
MW222.31 g/mol
LogP-0.04
Rot. Bonds2

About (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol

(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol (PubChem CID 16757115) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol
PubChem CID16757115
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol
SMILESCC(C)S[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O4S/c1-4(2)14-9-8(12)7(11)6(10)5(3)13-9/h4-12H,1-3H3/t5-,6-,7+,8+,9-/m0/s1
InChIKeyXFFLZPIRZAJGMY-ABXGFROZSA-N
XLogP-0.04
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol (CID 16757115) is (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol is CC(C)S[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-propan-2-ylsulfanyloxane-3,4,5-triol?
The InChIKey is XFFLZPIRZAJGMY-ABXGFROZSA-N. The full InChI is InChI=1S/C9H18O4S/c1-4(2)14-9-8(12)7(11)6(10)5(3)13-9/h4-12H,1-3H3/t5-,6-,7+,8+,9-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol has a molecular weight of 222.31 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-methyl-6-propan-2-ylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 16757115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).