1246355-62-3
1-[12-[4-(DIPYRROMETHENEBORON DIFLUORIDE)BUTANOYL]AMINO]DODECANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
Name1-[12-[4-(DIPYRROMETHENEBORON DIFLUORIDE)BUTANOYL]AMINO]DODECANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
FormulaC32 H51 B F2 N3 O8 P . H3 N
1Identification
【Name】
1-[12-[4-(DIPYRROMETHENEBORON DIFLUORIDE)BUTANOYL]AMINO]DODECANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT
【CAS】
【MDL】
MFCD22416776
【English Synonyms】
【Formula】
C32 H51 B F2 N3 O8 P . H3 N
【MolWeight】
702.58
【Inchi】
InChI=1S/C32H51BF2N3O8P.H3N/c1-23-19-25(3)37-31(23)28(32-24(2)20-26(4)38(32)33(37,34)35)15-14-16-29(40)36-18-13-11-9-7-5-6-8-10-12-17-30(41)45-21-27(39)22-46-47(42,43)44;/h19-20,27,39H,5-18,21-22H2,1-4H3,(H,36,40)(H2,42,43,44);1H3/t27-;/m0./s1
【InChIKey】
InChIKey=DUEPGEWDWGNMED-YCBFMBTMSA-N
【SMILES】
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)NCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)O)C)C)(F)F.N
【MOL File】
1-[12-[4-(DIPYRROMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[12-[4-(DIPYRROMETHENEBORON DIFLUORIDE)BUTANOYL]AMINO]DODECANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE AMMONIUM SALT.cml