62868-79-5
2,3-DIPHOSPHO-D-GLYCERIC ACID PENTACYCLOHEXYLAMINE SALT
Name2,3-DIPHOSPHO-D-GLYCERIC ACID PENTACYCLOHEXYLAMINE SALT
Formula5 C6 H13 N . C3 H8 O10 P2
1Identification
【Name】
2,3-DIPHOSPHO-D-GLYCERIC ACID PENTACYCLOHEXYLAMINE SALT
【CAS】
【MDL】
MFCD00070075
【English Synonyms】
【Formula】
5 C6 H13 N . C3 H8 O10 P2
【MolWeight】
761.913
【Inchi】
InChI=1S/5C6H13N.C3H8O10P2/c5*7-6-4-2-1-3-5-6;4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h5*6H,1-5,7H2;2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t;;;;;2-/m.....1/s1
【InChIKey】
InChIKey=WMBJYTVZNODJKS-SPUYNGLASA-N
【SMILES】
C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
【MOL File】
2,3-DIPHOSPHO-D-GLYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIPHOSPHO-D-GLYCERIC ACID PENTACYCLOHEXYLAMINE SALT.cml