[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

C8H16O8S2 — CID 10380299

IUPAC[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
SMILESCC1O[C@H](COS(C)(=O)=O)[C@@H](COS(C)(=O)=O)O1
InChIInChI=1S/C8H16O8S2/c1-6-15-7(4-13-17(2,9)10)8(16-6)5-14-18(3,11)12/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyVLRQMSUKZCBOLC-HTQZYQBOSA-N
MW304.34 g/mol
LogP-0.93
Rot. Bonds6

About [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate (PubChem CID 10380299) has the molecular formula C8H16O8S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
PubChem CID10380299
Molecular FormulaC8H16O8S2
Molecular Weight304.34 g/mol
Exact Mass304.03
IUPAC Name[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
SMILESCC1O[C@H](COS(C)(=O)=O)[C@@H](COS(C)(=O)=O)O1
InChIInChI=1S/C8H16O8S2/c1-6-15-7(4-13-17(2,9)10)8(16-6)5-14-18(3,11)12/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyVLRQMSUKZCBOLC-HTQZYQBOSA-N
XLogP-0.93
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-3-[(2R,3R)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
CID 146032227
[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
CID 135583340
[(4R,5S)-5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
CID 98575301
[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate
CID 101174302
[(4S,5S)-5-(methylsulfonyloxymethyl)-2-thiophen-3-yl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 101087874
[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
CID 57493581
[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
CID 58665661
(4,11-dimethoxy-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl methanesulfonate
CID 166083315
[4,5-diacetyloxy-2-(methylsulfonyloxymethyl)oxolan-3-yl] acetate
CID 135014342
oxetan-3-ylmethyl methanesulfonate
CID 86680078
[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methoxy-5-methylsulfonyloxyoxan-2-yl]methyl methanesulfonate
CID 124915579
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(methylsulfonyloxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
CID 139063557

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate?
The IUPAC name of [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate (CID 10380299) is [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate.
What is the SMILES notation for [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate?
The canonical SMILES for [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate is CC1O[C@H](COS(C)(=O)=O)[C@@H](COS(C)(=O)=O)O1.
What is the InChIKey of [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate?
The InChIKey is VLRQMSUKZCBOLC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O8S2/c1-6-15-7(4-13-17(2,9)10)8(16-6)5-14-18(3,11)12/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate?
[(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate has a molecular weight of 304.34 g/mol, XLogP of -0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2-methyl-5-(methylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate is sourced from PubChem (CID 10380299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).