[azaniumyloxy-[(1S,3R,4S,6S)-5-[azaniumyloxy-[(2R)-2,3-di(hexadecanoyloxy)propoxy]phosphoryl]oxy-2,3-bis[bis(azaniumyloxy)phosphoryloxy]-4,6-bis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxyazanium

Systemtic Name: [azaniumyloxy-[(1S,3R,4S,6S)-5-[azaniumyloxy-[(2R)-2,3-di(hexadecanoyloxy)propoxy]phosphoryl]oxy-2,3-bis[bis(azaniumyloxy)phosphoryloxy]-4,6-bis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxyazanium Openeye Name: [azaniumyloxy-[(1S,3R,4S,6S)-5-[azaniumyloxy-[(2R)-2,3-di(hexadecanoyloxy)propoxy]phosphoryl]oxy-2,3-bis[bis(azaniumyloxy)phosphoryloxy]-4,6-dihydroxy-cyclohexoxy]phosphoryl]oxyammonium CAS Name: [ammoniooxy-[(1S,3R,4S,6S)-5-[ammoniooxy-[(2R)-2,3-bis(1-oxohexadecoxy)propoxy]phosphoryl]oxy-2,3-bis(diammoniooxyphosphoryloxy)-4,6-dihydroxycyclohexyl]oxyphosphoryl]oxyammonium IUPAC Name: [azaniumyloxy-[(1S,3R,4S,6S)-5-[azaniumyloxy-[(2R)-2,3-di(hexadecanoyloxy)propoxy]phosphoryl]oxy-2,3-bis[bis(azaniumyloxy)phosphoryloxy]-4,6-dihydroxycyclohexyl]oxyphosphoryl]oxyazanium Traditional Name: [ammoniooxy-[(1S,3R,4S,6S)-5-[ammoniooxy-[(2R)-2,3-di(hexadecanoyloxy)propoxy]phosphoryl]oxy-2,3-bis(diammoniooxyphosphoryloxy)-4,6-dihydroxy-cyclohexoxy]phosphoryl]oxyammonium Formula: C41H96N7O22P4+7 MolecularWeight: 1163.129684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OC1C(C(C(C(C1O)OP(=O)(O[NH3+])O[NH3+])OP(=O)(O[NH3+])O[NH3+])OP(=O)(O[NH3+])O[NH3+])O)O[NH3+])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O[NH3+])O[NH3+])OP(=O)(O[NH3+])O[NH3+])OP(=O)(O[NH3+])O[NH3+])O)O[NH3+])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H96N7O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(49)57-31-33(59-35(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-71(53,64-42)60-38-36(51)39(61-72(54,65-43)66-44)41(63-74(56,69-47)70-48)40(37(38)52)62-73(55,67-45)68-46/h33,36-41,51-52H,3-32H2,1-2,42-48H3/q+7/t33-,36+,37+,38?,39-,40+,41?,71?/m1/s1