3913-50-6
3-HYDROXY-2,2-DIMETHOXY-PROPANOIC ACID 3-PHOSPHATE TRI(CYCLOHEXYLAMMONIUM) SALT
Name
3-HYDROXY-2,2-DIMETHOXY-PROPANOIC ACID 3-PHOSPHATE TRI(CYCLOHEXYLAMMONIUM) SALT
Formula
3 C6 H13 N . C5 H11 O8 P
MolWeight
527.635
1Identification
【Name】
3-HYDROXY-2,2-DIMETHOXY-PROPANOIC ACID 3-PHOSPHATE TRI(CYCLOHEXYLAMMONIUM) SALT
【CAS】
【MDL】
MFCD00058333
【English Synonyms】
【Formula】
3 C6 H13 N . C5 H11 O8 P
【MolWeight】
527.635
【Inchi】
InChI=1S/3C6H13N.C5H11O8P/c3*7-6-4-2-1-3-5-6;1-11-5(12-2,4(6)7)3-13-14(8,9)10/h3*6H,1-5,7H2;3H2,1-2H3,(H,6,7)(H2,8,9,10)
【InChIKey】
InChIKey=KDLGSQCPSVLOIB-UHFFFAOYSA-N
【SMILES】
COC(COP(=O)(O)O)(C(=O)O)OC.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-2,2-DIMETHOXY-PROPANOIC ACID 3-PHOSPHATE TRI(CYCLOHEXYLAMMONIUM) SALT.cml
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