[(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate

C134H227N26O81P15S — CID 172934333

About [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate

[(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate (PubChem CID 172934333) has the molecular formula C134H227N26O81P15S and a molecular weight of 3995.07 g/mol. Its IUPAC name is [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate.

Molecular Properties

• Compound Name: [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate
• PubChem CID: 172934333
• Molecular Formula: C134H227N26O81P15S
• Molecular Weight: 3995.07 g/mol
• Exact Mass: 3993.02
• IUPAC Name: [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate
• SMILES: C/C(CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.C/C(CCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.C/C(CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.Cc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(=O)CCCSC(C)(C)C)C(OP(=O)(O)O)C1O.Cc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(C)(C)C)C(OP(=O)(O)O)C1O
• InChI: InChI=1S/C29H48N5O17P3.C28H48N7O17P3.C28H47N4O16P3S.C25H43N6O16P3.C24H41N4O15P3/c1-17(33-50-28(3,4)5)11-12-19(35)9-8-10-20(36)25(38)29(6,7)14-47-54(44,45)51-53(42,43)46-13-21-24(49-52(39,40)41)23(37)27(48-21)34-16-32-22-18(2)30-15-31-26(22)34;1-16(34-51-27(3,4)5)8-10-29-19(36)9-11-30-25(39)23(38)28(6,7)13-48-55(45,46)52-54(43,44)47-12-18-22(50-53(40,41)42)21(37)26(49-18)35-15-33-20-17(2)31-14-32-24(20)35;1-17-21-25(30-15-29-17)32(16-31-21)26-22(35)23(47-49(37,38)39)20(46-26)13-44-50(40,41)48-51(42,43)45-14-28(5,6)24(36)19(34)11-7-9-18(33)10-8-12-52-27(2,3)4;1-14(30-46-24(3,4)5)8-9-26-22(34)20(33)25(6,7)11-43-50(40,41)47-49(38,39)42-10-16-19(45-48(35,36)37)18(32)23(44-16)31-13-29-17-15(2)27-12-28-21(17)31;1-14-17-21(26-12-25-14)28(13-27-17)22-18(30)19(42-44(32,33)34)16(41-22)10-39-45(35,36)43-46(37,38)40-11-24(5,6)20(31)15(29)8-7-9-23(2,3)4/h15-16,21,23-25,27,37-38H,8-14H2,1-7H3,(H,42,43)(H,44,45)(H2,39,40,41);14-15,18,21-23,26,37-38H,8-13H2,1-7H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,40,41,42);15-16,20,22-24,26,35-36H,7-14H2,1-6H3,(H,40,41)(H,42,43)(H2,37,38,39);12-13,16,18-20,23,32-33H,8-11H2,1-7H3,(H,26,34)(H,38,39)(H,40,41)(H2,35,36,37);12-13,16,18-20,22,30-31H,7-11H2,1-6H3,(H,35,36)(H,37,38)(H2,32,33,34)/b33-17+;34-16+;;30-14+;/t;18?,21?,22?,23-,26?;;16?,18?,19?,20-,23?;/m.1.1./s1
• InChIKey: XBKMDBMWEGFVBP-DXOKJORFSA-N
• XLogP: 10.13
• TPSA: 1549.12 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 85
• Rotatable Bonds: 95
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3995.07
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	85

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate?

The IUPAC name of [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate (CID 172934333) is [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate.

What is the SMILES notation for [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate?

The canonical SMILES for [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate is C/C(CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.C/C(CCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.C/C(CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(C)ncnc32)C(O)C1OP(=O)(O)O)=N\OC(C)(C)C.Cc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(=O)CCCSC(C)(C)C)C(OP(=O)(O)O)C1O.Cc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(C)(C)C)C(OP(=O)(O)O)C1O.

What is the InChIKey of [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate?

The InChIKey is XBKMDBMWEGFVBP-DXOKJORFSA-N. The full InChI is InChI=1S/C29H48N5O17P3.C28H48N7O17P3.C28H47N4O16P3S.C25H43N6O16P3.C24H41N4O15P3/c1-17(33-50-28(3,4)5)11-12-19(35)9-8-10-20(36)25(38)29(6,7)14-47-54(44,45)51-53(42,43)46-13-21-24(49-52(39,40)41)23(37)27(48-21)34-16-32-22-18(2)30-15-31-26(22)34;1-16(34-51-27(3,4)5)8-10-29-19(36)9-11-30-25(39)23(38)28(6,7)13-48-55(45,46)52-54(43,44)47-12-18-22(50-53(40,41)42)21(37)26(49-18)35-15-33-20-17(2)31-14-32-24(20)35;1-17-21-25(30-15-29-17)32(16-31-21)26-22(35)23(47-49(37,38)39)20(46-26)13-44-50(40,41)48-51(42,43)45-14-28(5,6)24(36)19(34)11-7-9-18(33)10-8-12-52-27(2,3)4;1-14(30-46-24(3,4)5)8-9-26-22(34)20(33)25(6,7)11-43-50(40,41)47-49(38,39)42-10-16-19(45-48(35,36)37)18(32)23(44-16)31-13-29-17-15(2)27-12-28-21(17)31;1-14-17-21(26-12-25-14)28(13-27-17)22-18(30)19(42-44(32,33)34)16(41-22)10-39-45(35,36)43-46(37,38)40-11-24(5,6)20(31)15(29)8-7-9-23(2,3)4/h15-16,21,23-25,27,37-38H,8-14H2,1-7H3,(H,42,43)(H,44,45)(H2,39,40,41);14-15,18,21-23,26,37-38H,8-13H2,1-7H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,40,41,42);15-16,20,22-24,26,35-36H,7-14H2,1-6H3,(H,40,41)(H,42,43)(H2,37,38,39);12-13,16,18-20,23,32-33H,8-11H2,1-7H3,(H,26,34)(H,38,39)(H,40,41)(H2,35,36,37);12-13,16,18-20,22,30-31H,7-11H2,1-6H3,(H,35,36)(H,37,38)(H2,32,33,34)/b33-17+;34-16+;;30-14+;/t;18?,21?,22?,23-,26?;;16?,18?,19?,20-,23?;/m.1.1./s1.

What are the key properties of [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate?

[(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate has a molecular weight of 3995.07 g/mol, XLogP of 10.13, 95 rotatable bonds, 33 hydrogen bond donors, and 85 hydrogen bond acceptors.

Where does this data come from?

All data for [(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecoxy)-hydroxyphosphoryl] [4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] [hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate;[hydroxy-[[4-hydroxy-5-(6-methylpurin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate is sourced from PubChem (CID 172934333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).