20514-06-1
D(+)-GLUCOSE-1,6-DIPHOSPHATE,TETRACYCLOHEXYLAMMONIUM SALT
NameD(+)-GLUCOSE-1,6-DIPHOSPHATE,TETRACYCLOHEXYLAMMONIUM SALT
FormulaC6 H14 O12 P2 . 4 C6 H13 N
1Identification
【Name】
D(+)-GLUCOSE-1,6-DIPHOSPHATE,TETRACYCLOHEXYLAMMONIUM SALT
【CAS】
【MDL】
MFCD00080925
【English Synonyms】
【Formula】
C6 H14 O12 P2 . 4 C6 H13 N
【MolWeight】
736.815
【Inchi】
InChI=1S/4C6H13N.C6H14O12P2/c4*7-6-4-2-1-3-5-6;7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h4*6H,1-5,7H2;2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t;;;;2-,3-,4+,5-,6?/m....1/s1
【InChIKey】
InChIKey=KRQDUKGDTPUTQA-PLCYVBTOSA-N
【SMILES】
C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
【MOL File】
D(+)-GLUCOSE-1,6-DIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:12
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
D(+)-GLUCOSE-1,6-DIPHOSPHATE,TETRACYCLOHEXYLAMMONIUM SALT.cml