Chemical ID: 4993674

CS(=O)(=O)OCC(C(COS(=O)(=O)C)O)O
Chemical ID:
4993674
Name [?]:
1,4-bis(methylsulfonyloxy)butane-2,3-diol
SMILES [?]:
CS(=O)(=O)OCC(C(COS(=O)(=O)C)O)O
InChi [?]:
InChI=1/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,9,7,8,16,15,3,4,12,13,5,10,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)(15,16)/CRV:15.6,16.6/rA:16cCSOOOCCCCOSOOCOO/rB:s1;d2;d2;s2;s5;s6;s7;s8;s9;s10;d11;d11;s11;s8;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14O8S2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:2.67234
Area:437.545
Solvation:-8.26628
Coulombic:-40.8563
Bond Count [?]
All:15
Single:11
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.303
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-2.33
LogP (Chemaxon):-1.88

Name Annotations

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Descriptor Annotations

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