58416-00-5
PROTIOFATE
Name
PROTIOFATE
Formula
C12 H16 O6 S
MolWeight
288.318
1Identification
【Name】
PROTIOFATE
【CAS】
【MDL】
MFCD00865595
【English Synonyms】
【Formula】
C12 H16 O6 S
【MolWeight】
288.318
【Inchi】
InChI=1S/C12H16O6S/c1-3-5-17-11(15)9-7(13)8(14)10(19-9)12(16)18-6-4-2/h13-14H,3-6H2,1-2H3
【InChIKey】
InChIKey=GUFHWUFYAOUKTI-UHFFFAOYSA-N
【SMILES】
CCCOC(=O)c1c(c(c(s1)C(=O)OCCC)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROTIOFATE.cml
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