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Chemical ID: 4993674
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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Experimental Annotations
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Descriptor Annotations
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