2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium

C10H18O6SY — CID 59996498

IUPAC2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
SMILESCC1(C)O[C@@H](CC(=O)O)C[C@@H](CS(C)(=O)=O)O1.[Y]
InChIInChI=1S/C10H18O6S.Y/c1-10(2)15-7(5-9(11)12)4-8(16-10)6-17(3,13)14;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8+;/m1./s1
InChIKeyFPHPDYHERKCKHG-WLYNEOFISA-N
MW355.22 g/mol
LogP0.41
Rot. Bonds4

About 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium

2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium (PubChem CID 59996498) has the molecular formula C10H18O6SY and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium.

Molecular Properties

Compound Name2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
PubChem CID59996498
Molecular FormulaC10H18O6SY
Molecular Weight355.22 g/mol
Exact Mass354.99
IUPAC Name2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
SMILESCC1(C)O[C@@H](CC(=O)O)C[C@@H](CS(C)(=O)=O)O1.[Y]
InChIInChI=1S/C10H18O6S.Y/c1-10(2)15-7(5-9(11)12)4-8(16-10)6-17(3,13)14;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8+;/m1./s1
InChIKeyFPHPDYHERKCKHG-WLYNEOFISA-N
XLogP0.41
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium with MolForge

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Related Compounds

methyl 2-[(4R)-2,2-dimethyl-6-(trifluoromethylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 70246562
[(4R,6S)-6-methanesulfonyloxymethyl-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid
CID 22850992
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 59036964
2-[(4R,6S)-2,2-dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 59036969
methyl 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 59996497
2-[(4R)-2,2-dimethyl-6-(sulfamoylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 122471321
ethyl 2-[(4R,6S)-2-(2-ethoxy-2-oxoethyl)-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 141432141
2-[2,2-Dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 20771242
2-[2,2-Dimethyl-6-(methylsulfanylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 20771243
2-[2,2-Dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium
CID 20771244
2-[2,2-Dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 20771245
Methyl 2-[2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetate
CID 20771259

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium?
The IUPAC name of 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium (CID 59996498) is 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium.
What is the SMILES notation for 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium?
The canonical SMILES for 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium is CC1(C)O[C@@H](CC(=O)O)C[C@@H](CS(C)(=O)=O)O1.[Y].
What is the InChIKey of 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium?
The InChIKey is FPHPDYHERKCKHG-WLYNEOFISA-N. The full InChI is InChI=1S/C10H18O6S.Y/c1-10(2)15-7(5-9(11)12)4-8(16-10)6-17(3,13)14;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8+;/m1./s1.
What are the key properties of 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium?
2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium has a molecular weight of 355.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid;yttrium is sourced from PubChem (CID 59996498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).