799812-66-1
1-OLEOYL-2-(12-BIOTINYL(AMINODODECANOYL))-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
Name1-OLEOYL-2-(12-BIOTINYL(AMINODODECANOYL))-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
FormulaC46 H83 N4 O12 P S . H3 N
1Identification
【Name】
1-OLEOYL-2-(12-BIOTINYL(AMINODODECANOYL))-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
【CAS】
【MDL】
MFCD22416876
【English Synonyms】
【Formula】
C46 H83 N4 O12 P S . H3 N
【MolWeight】
964.248
【Inchi】
InChI=1S/C46H83N4O12PS.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-23-30-42(52)59-33-37(34-60-63(57,58)61-35-38(47)45(54)55)62-43(53)31-24-21-18-15-13-16-19-22-27-32-48-41(51)29-26-25-28-40-44-39(36-64-40)49-46(56)50-44;/h9-10,37-40,44H,2-8,11-36,47H2,1H3,(H,48,51)(H,54,55)(H,57,58)(H2,49,50,56);1H3/b10-9-;/t37-,38+,39+,40+,44+;/m1./s1
【InChIKey】
InChIKey=FUCJSUOHIUUCPS-FNICJJOFSA-N
【SMILES】
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2.N
【MOL File】
1-OLEOYL-2-(12-BIOTI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:16
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-OLEOYL-2-(12-BIOTINYL(AMINODODECANOYL))-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT.cml