[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)

C78H184N8O78P17-15 — CID 162187127

IUPAC[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)
SMILESC.C.C.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])OC.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])O
InChIInChI=1S/C34H78N2O27P6.C17H41N2O15P3.4C6H17NO9P2.3CH4/c1-35-31-51-28-33(27-37)63-69(49,50)60-26-18-10-9-16-24-58-67(45,46)56-22-14-6-5-12-20-54-65(41,42)53-19-11-3-4-13-21-55-66(43,44)57-23-15-7-8-17-25-59-68(47,48)61-30-34(29-52-32-36-2)62-64(38,39)40;1-18-14-28-11-16(10-20)33-37(25,26)31-9-7-5-4-6-8-30-36(23,24)32-13-17(12-29-15-19-2)34-35(21,22)27-3;4*1-7-5-14-3-6(16-17(8,9)10)4-15-18(11,12)13-2;;;/h33-37H,3-32H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,38,39,40);16-20H,4-15H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);4*6-7H,3-5H2,1-2H3,(H,11,12)(H2,8,9,10);3*1H4/p-15
InChIKeyZPUMPRWXGQASJH-UHFFFAOYSA-A
MW3008.87 g/mol
LogP-4.07
Rot. Bonds118

About [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)

[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) (PubChem CID 162187127) has the molecular formula C78H184N8O78P17-15 and a molecular weight of 3008.87 g/mol. Its IUPAC name is [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate).

Molecular Properties

Compound Name[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)
PubChem CID162187127
Molecular FormulaC78H184N8O78P17-15
Molecular Weight3008.87 g/mol
Exact Mass3007.63
IUPAC Name[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)
SMILESC.C.C.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])OC.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])O
InChIInChI=1S/C34H78N2O27P6.C17H41N2O15P3.4C6H17NO9P2.3CH4/c1-35-31-51-28-33(27-37)63-69(49,50)60-26-18-10-9-16-24-58-67(45,46)56-22-14-6-5-12-20-54-65(41,42)53-19-11-3-4-13-21-55-66(43,44)57-23-15-7-8-17-25-59-68(47,48)61-30-34(29-52-32-36-2)62-64(38,39)40;1-18-14-28-11-16(10-20)33-37(25,26)31-9-7-5-4-6-8-30-36(23,24)32-13-17(12-29-15-19-2)34-35(21,22)27-3;4*1-7-5-14-3-6(16-17(8,9)10)4-15-18(11,12)13-2;;;/h33-37H,3-32H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,38,39,40);16-20H,4-15H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);4*6-7H,3-5H2,1-2H3,(H,11,12)(H2,8,9,10);3*1H4/p-15
InChIKeyZPUMPRWXGQASJH-UHFFFAOYSA-A
XLogP-4.07
TPSA1255.91 Ų
H-Bond Donors17
H-Bond Acceptors79
Rotatable Bonds118
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.87
LogP ≤ 5-4.07
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1079

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)?
The IUPAC name of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) (CID 162187127) is [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate).
What is the SMILES notation for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)?
The canonical SMILES for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) is C.C.C.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)(O)O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OC)OP(=O)([O-])O.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])OC.CNCOCC(COP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OCCCCCCOP(=O)([O-])OC(CO)COCNC)OP(=O)([O-])O.
What is the InChIKey of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)?
The InChIKey is ZPUMPRWXGQASJH-UHFFFAOYSA-A. The full InChI is InChI=1S/C34H78N2O27P6.C17H41N2O15P3.4C6H17NO9P2.3CH4/c1-35-31-51-28-33(27-37)63-69(49,50)60-26-18-10-9-16-24-58-67(45,46)56-22-14-6-5-12-20-54-65(41,42)53-19-11-3-4-13-21-55-66(43,44)57-23-15-7-8-17-25-59-68(47,48)61-30-34(29-52-32-36-2)62-64(38,39)40;1-18-14-28-11-16(10-20)33-37(25,26)31-9-7-5-4-6-8-30-36(23,24)32-13-17(12-29-15-19-2)34-35(21,22)27-3;4*1-7-5-14-3-6(16-17(8,9)10)4-15-18(11,12)13-2;;;/h33-37H,3-32H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,38,39,40);16-20H,4-15H2,1-3H3,(H,21,22)(H,23,24)(H,25,26);4*6-7H,3-5H2,1-2H3,(H,11,12)(H2,8,9,10);3*1H4/p-15.
What are the key properties of [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate)?
[1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) has a molecular weight of 3008.87 g/mol, XLogP of -4.07, 118 rotatable bonds, 17 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(methylaminomethoxy)propan-2-yl] 6-[[2-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propoxy]-oxidophosphoryl]oxyhexyl phosphate;[1-[6-[6-[6-[6-[[1-hydroxy-3-(methylaminomethoxy)propan-2-yl]oxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxyhexoxy-oxidophosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate;methane;bis([1-[methoxy(oxido)phosphoryl]oxy-3-(methylaminomethoxy)propan-2-yl] hydrogen phosphate);bis(methyl [3-(methylaminomethoxy)-2-phosphonooxypropyl] phosphate) is sourced from PubChem (CID 162187127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).