(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol

C10H22O8S2 — CID 71772282

IUPAC(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol
SMILESCCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)S(=O)(=O)CC
InChIInChI=1S/C10H22O8S2/c1-4-19(15,16)10(20(17,18)5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3/t6-,7+,8+,9-/m0/s1
InChIKeyGAYPCIYXXTVAMZ-KDXUFGMBSA-N
MW334.41 g/mol
LogP-2.35
Rot. Bonds8

About (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol

(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol (PubChem CID 71772282) has the molecular formula C10H22O8S2 and a molecular weight of 334.41 g/mol. Its IUPAC name is (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol
PubChem CID71772282
Molecular FormulaC10H22O8S2
Molecular Weight334.41 g/mol
Exact Mass334.08
IUPAC Name(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol
SMILESCCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)S(=O)(=O)CC
InChIInChI=1S/C10H22O8S2/c1-4-19(15,16)10(20(17,18)5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3/t6-,7+,8+,9-/m0/s1
InChIKeyGAYPCIYXXTVAMZ-KDXUFGMBSA-N
XLogP-2.35
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol (CID 71772282) is (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol is CCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)S(=O)(=O)CC.
What is the InChIKey of (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol?
The InChIKey is GAYPCIYXXTVAMZ-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H22O8S2/c1-4-19(15,16)10(20(17,18)5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3/t6-,7+,8+,9-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol?
(2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol has a molecular weight of 334.41 g/mol, XLogP of -2.35, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-1,1-bis(ethylsulfonyl)hexane-2,3,4,5-tetrol is sourced from PubChem (CID 71772282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).