(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate

C6H14O10S3 — CID 167204103

IUPAC(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate
SMILESCOS(=O)(=O)OC(COS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C6H14O10S3/c1-13-19(11,12)16-6(4-14-17(2,7)8)5-15-18(3,9)10/h6H,4-5H2,1-3H3
InChIKeyBABKEAVQEFVCFN-UHFFFAOYSA-N
MW342.37 g/mol
LogP-1.78
Rot. Bonds9

About (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate

(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate (PubChem CID 167204103) has the molecular formula C6H14O10S3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate.

Molecular Properties

Compound Name(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate
PubChem CID167204103
Molecular FormulaC6H14O10S3
Molecular Weight342.37 g/mol
Exact Mass341.97
IUPAC Name(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate
SMILESCOS(=O)(=O)OC(COS(C)(=O)=O)COS(C)(=O)=O
InChIInChI=1S/C6H14O10S3/c1-13-19(11,12)16-6(4-14-17(2,7)8)5-15-18(3,9)10/h6H,4-5H2,1-3H3
InChIKeyBABKEAVQEFVCFN-UHFFFAOYSA-N
XLogP-1.78
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dimethoxypropyl] methanesulfonate
CID 124582874
[(2S)-3-(methylamino)-2-methylsulfonyloxypropyl] methanesulfonate
CID 164740036
hepta-1,6-dien-4-yl methyl sulfate
CID 141147379
[(2S)-3-hexadecoxy-2-methylsulfonyloxypropyl] methanesulfonate
CID 98094946
[2-(fluoromethyl)-3-methylsulfonyloxypropyl] methanesulfonate
CID 135122818
2-propan-2-yloxybutyl methanesulfonate
CID 160973482
[(3S)-4-methylsulfonyloxy-3-phosphanyloxybutyl] methanesulfonate
CID 58779151
[3-hydroxy-2-(hydroxymethyl)propyl] methanesulfonate
CID 71337924
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
CID 97038452
(3-fluoro-2-hydroxypropyl) methanesulfonate
CID 130127423
2-fluorobutyl methanesulfonate
CID 139711302
[(2S)-2-(dimethylamino)propyl] methanesulfonate
CID 126616081

Frequently Asked Questions

What is the IUPAC name of (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate?
The IUPAC name of (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate (CID 167204103) is (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate.
What is the SMILES notation for (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate?
The canonical SMILES for (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate is COS(=O)(=O)OC(COS(C)(=O)=O)COS(C)(=O)=O.
What is the InChIKey of (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate?
The InChIKey is BABKEAVQEFVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O10S3/c1-13-19(11,12)16-6(4-14-17(2,7)8)5-15-18(3,9)10/h6H,4-5H2,1-3H3.
What are the key properties of (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate?
(2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate has a molecular weight of 342.37 g/mol, XLogP of -1.78, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxysulfonyloxy-3-methylsulfonyloxypropyl) methanesulfonate is sourced from PubChem (CID 167204103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).