57680-56-5
SUCROSOFATE
Name
SUCROSOFATE
Formula
C12 H22 O35 S8
MolWeight
982.799
1Identification
【Name】
SUCROSOFATE
【CAS】
【MDL】
MFCD00866870
【English Synonyms】
【Formula】
C12 H22 O35 S8
【MolWeight】
982.799
【Inchi】
InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
【InChIKey】
InChIKey=WEPNHBQBLCNOBB-UGDNZRGBSA-N
【SMILES】
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:35
XLogP3:-27.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SUCROSOFATE.cml
Quick Release
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