tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid

C166H327N7O57P8S2 — CID 172922900

IUPACtert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid
SMILESC/C(CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CCP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCSCCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.CC(C)(C)CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(=O)CCCSC(C)(C)C
InChIInChI=1S/C25H48NO8PS.C22H44N3O7P.C22H42NO8P.C21H41O7PS.C21H41O7P.C20H39O7P.C18H37N2O7P.C17H35O6P/c1-19(26-33-23(2,3)4)15-17-36-16-11-13-20(27)12-10-14-21(28)22(29)25(8,9)18-32-35(30,31)34-24(5,6)7;1-16(25-31-20(2,3)4)10-13-23-17(26)11-14-24-19(28)18(27)22(8,9)12-15-33(29,30)32-21(5,6)7;1-16(23-30-20(2,3)4)13-14-17(24)11-10-12-18(25)19(26)22(8,9)15-29-32(27,28)31-21(5,6)7;1-19(2,3)28-29(25,26)27-15-21(7,8)18(24)17(23)13-9-11-16(22)12-10-14-30-20(4,5)6;1-19(2,3)14-10-12-16(22)11-9-13-17(23)18(24)21(7,8)15-27-29(25,26)28-20(4,5)6;1-18(2,3)13-12-15(21)10-9-11-16(22)17(23)20(7,8)14-26-28(24,25)27-19(4,5)6;1-13(20-26-16(2,3)4)10-11-19-15(22)14(21)18(8,9)12-25-28(23,24)27-17(5,6)7;1-15(2,3)11-9-10-13(18)14(19)17(7,8)12-22-24(20,21)23-16(4,5)6/h22,29H,10-18H2,1-9H3,(H,30,31);18,27H,10-15H2,1-9H3,(H,23,26)(H,24,28)(H,29,30);19,26H,10-15H2,1-9H3,(H,27,28);18,24H,9-15H2,1-8H3,(H,25,26);18,24H,9-15H2,1-8H3,(H,25,26);17,23H,9-14H2,1-8H3,(H,24,25);14,21H,10-12H2,1-9H3,(H,19,22)(H,23,24);14,19H,9-12H2,1-8H3,(H,20,21)/b26-19+;25-16+;23-16+;;;;20-13+;/t;18-;;;;;14-;/m.0....0./s1
InChIKeyMFXQZRYCROSZBJ-NMJDFNKWSA-N
MW3645.36 g/mol
LogP34.55
Rot. Bonds103

About tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid

tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid (PubChem CID 172922900) has the molecular formula C166H327N7O57P8S2 and a molecular weight of 3645.36 g/mol. Its IUPAC name is tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid.

Molecular Properties

Compound Nametert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid
PubChem CID172922900
Molecular FormulaC166H327N7O57P8S2
Molecular Weight3645.36 g/mol
Exact Mass3643.02
IUPAC Nametert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid
SMILESC/C(CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CCP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCSCCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.CC(C)(C)CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(=O)CCCSC(C)(C)C
InChIInChI=1S/C25H48NO8PS.C22H44N3O7P.C22H42NO8P.C21H41O7PS.C21H41O7P.C20H39O7P.C18H37N2O7P.C17H35O6P/c1-19(26-33-23(2,3)4)15-17-36-16-11-13-20(27)12-10-14-21(28)22(29)25(8,9)18-32-35(30,31)34-24(5,6)7;1-16(25-31-20(2,3)4)10-13-23-17(26)11-14-24-19(28)18(27)22(8,9)12-15-33(29,30)32-21(5,6)7;1-16(23-30-20(2,3)4)13-14-17(24)11-10-12-18(25)19(26)22(8,9)15-29-32(27,28)31-21(5,6)7;1-19(2,3)28-29(25,26)27-15-21(7,8)18(24)17(23)13-9-11-16(22)12-10-14-30-20(4,5)6;1-19(2,3)14-10-12-16(22)11-9-13-17(23)18(24)21(7,8)15-27-29(25,26)28-20(4,5)6;1-18(2,3)13-12-15(21)10-9-11-16(22)17(23)20(7,8)14-26-28(24,25)27-19(4,5)6;1-13(20-26-16(2,3)4)10-11-19-15(22)14(21)18(8,9)12-25-28(23,24)27-17(5,6)7;1-15(2,3)11-9-10-13(18)14(19)17(7,8)12-22-24(20,21)23-16(4,5)6/h22,29H,10-18H2,1-9H3,(H,30,31);18,27H,10-15H2,1-9H3,(H,23,26)(H,24,28)(H,29,30);19,26H,10-15H2,1-9H3,(H,27,28);18,24H,9-15H2,1-8H3,(H,25,26);18,24H,9-15H2,1-8H3,(H,25,26);17,23H,9-14H2,1-8H3,(H,24,25);14,21H,10-12H2,1-9H3,(H,19,22)(H,23,24);14,19H,9-12H2,1-8H3,(H,20,21)/b26-19+;25-16+;23-16+;;;;20-13+;/t;18-;;;;;14-;/m.0....0./s1
InChIKeyMFXQZRYCROSZBJ-NMJDFNKWSA-N
XLogP34.55
TPSA960.12 Ų
H-Bond Donors19
H-Bond Acceptors55
Rotatable Bonds103
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003645.36
LogP ≤ 534.55
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1055

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'}

Analyze tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl [3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate
CID 172981943
tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3S)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [(3S)-3-hydroxy-2,2-dimethyl-4-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;bis(1,4-ditert-butyltriazole);bis(3,5-ditert-butyl-2H-triazol-4-one)
CID 172924079
tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate
CID 148921748
[(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
(11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) 2,2-dimethylpropyl hydrogen phosphate
CID 147385516
[3-hydroxy-4-[[3-[2-[(3E)-3-methoxyiminobutyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] dihydrogen phosphate
CID 129099257
ethane;[3-hydroxy-4-[[3-[[(3E)-3-methoxyiminobutyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] methyl hydrogen phosphate
CID 142463808
[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
CID 46846233
[(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;(2,5-dioxopyrrolidin-1-yl) 3,3-dimethylbutanoate;(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate;[(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;(2,3,4,6-tetrafluoro-5-methylphenyl) 2,2-dimethylpropanoate;(2,3,6-trifluoro-5-methylphenyl) 2,2-dimethylpropanoate
CID 172917512
ethane;[3-hydroxy-4-[[3-[[(2E)-2-methoxyiminopropyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] methyl hydrogen phosphate
CID 163384907
tert-butyl [3-hydroxy-4-(2-iodoethylamino)-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
CID 126656888
ethane;[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] methyl hydrogen phosphate
CID 142383794

Frequently Asked Questions

What is the IUPAC name of tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The IUPAC name of tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid (CID 172922900) is tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid.
What is the SMILES notation for tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The canonical SMILES for tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid is C/C(CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CCP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.C/C(CCSCCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C)=N\OC(C)(C)C.CC(C)(C)CCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)CCCC(=O)CCCC(=O)C(O)C(C)(C)COP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(O)OCC(C)(C)C(O)C(=O)CCCC(=O)CCCSC(C)(C)C.
What is the InChIKey of tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid?
The InChIKey is MFXQZRYCROSZBJ-NMJDFNKWSA-N. The full InChI is InChI=1S/C25H48NO8PS.C22H44N3O7P.C22H42NO8P.C21H41O7PS.C21H41O7P.C20H39O7P.C18H37N2O7P.C17H35O6P/c1-19(26-33-23(2,3)4)15-17-36-16-11-13-20(27)12-10-14-21(28)22(29)25(8,9)18-32-35(30,31)34-24(5,6)7;1-16(25-31-20(2,3)4)10-13-23-17(26)11-14-24-19(28)18(27)22(8,9)12-15-33(29,30)32-21(5,6)7;1-16(23-30-20(2,3)4)13-14-17(24)11-10-12-18(25)19(26)22(8,9)15-29-32(27,28)31-21(5,6)7;1-19(2,3)28-29(25,26)27-15-21(7,8)18(24)17(23)13-9-11-16(22)12-10-14-30-20(4,5)6;1-19(2,3)14-10-12-16(22)11-9-13-17(23)18(24)21(7,8)15-27-29(25,26)28-20(4,5)6;1-18(2,3)13-12-15(21)10-9-11-16(22)17(23)20(7,8)14-26-28(24,25)27-19(4,5)6;1-13(20-26-16(2,3)4)10-11-19-15(22)14(21)18(8,9)12-25-28(23,24)27-17(5,6)7;1-15(2,3)11-9-10-13(18)14(19)17(7,8)12-22-24(20,21)23-16(4,5)6/h22,29H,10-18H2,1-9H3,(H,30,31);18,27H,10-15H2,1-9H3,(H,23,26)(H,24,28)(H,29,30);19,26H,10-15H2,1-9H3,(H,27,28);18,24H,9-15H2,1-8H3,(H,25,26);18,24H,9-15H2,1-8H3,(H,25,26);17,23H,9-14H2,1-8H3,(H,24,25);14,21H,10-12H2,1-9H3,(H,19,22)(H,23,24);14,19H,9-12H2,1-8H3,(H,20,21)/b26-19+;25-16+;23-16+;;;;20-13+;/t;18-;;;;;14-;/m.0....0./s1.
What are the key properties of tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid?
tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid has a molecular weight of 3645.36 g/mol, XLogP of 34.55, 103 rotatable bonds, 19 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (11-tert-butylsulfanyl-3-hydroxy-2,2-dimethyl-4,8-dioxoundecyl) hydrogen phosphate;tert-butyl [(3R)-3-hydroxy-2,2-dimethyl-4-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-4-oxobutyl] hydrogen phosphate;tert-butyl [3-hydroxy-2,2-dimethyl-11-[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]sulfanyl-4,8-dioxoundecyl] hydrogen phosphate;tert-butyl [(11E)-3-hydroxy-2,2-dimethyl-11-[(2-methylpropan-2-yl)oxyimino]-4,8-dioxododecyl] hydrogen phosphate;tert-butyl (3-hydroxy-2,2,11,11-tetramethyl-4,8-dioxododecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,12,12-tetramethyl-4,8-dioxotridecyl) hydrogen phosphate;tert-butyl (3-hydroxy-2,2,8,8-tetramethyl-4-oxononyl) hydrogen phosphate;[(4R)-4-hydroxy-3,3-dimethyl-5-[[3-[[(3E)-3-[(2-methylpropan-2-yl)oxyimino]butyl]amino]-3-oxopropyl]amino]-5-oxopentyl]-[(2-methylpropan-2-yl)oxy]phosphinic acid is sourced from PubChem (CID 172922900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).