sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide

C46H125Cl4N2NaO19P6+2 — CID 157217893

IUPACsodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC1CO[P+](=O)O1.COCC(C)OP(=O)(Cl)OCC(C)OP(C)(=O)OCC(C)OP(C)(=O)NC1CCC1.COCC(C)OP(C)(=O)Cl.COCC(C)O[P+](C)=O.ClCl.NC1CCC1.[Na+].[OH-]
InChIInChI=1S/C16H35ClNO9P3.C5H12ClO3P.C5H12O3P.C4H9N.C3H6O3P.C2H6.11CH4.Cl2.Na.H2O/c1-13(10-22-4)27-30(17,21)24-12-15(3)26-29(6,20)23-11-14(2)25-28(5,19)18-16-8-7-9-16;1-5(4-8-2)9-10(3,6)7;1-5(4-7-2)8-9(3)6;5-4-2-1-3-4;1-3-2-5-7(4)6-3;1-2;;;;;;;;;;;;1-2;;/h13-16H,7-12H2,1-6H3,(H,18,19);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3,5H2;3H,2H2,1H3;1-2H3;11*1H4;;;1H2/q;;+1;;+1;;;;;;;;;;;;;;+1;/p-1
InChIKeyMSESELRQAQLQRT-UHFFFAOYSA-M
MW1361.15 g/mol
LogP16.33
Rot. Bonds24

About sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide

sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide (PubChem CID 157217893) has the molecular formula C46H125Cl4N2NaO19P6+2 and a molecular weight of 1361.15 g/mol. Its IUPAC name is sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide.

Molecular Properties

Compound Namesodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide
PubChem CID157217893
Molecular FormulaC46H125Cl4N2NaO19P6+2
Molecular Weight1361.15 g/mol
Exact Mass1358.59
IUPAC Namesodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC1CO[P+](=O)O1.COCC(C)OP(=O)(Cl)OCC(C)OP(C)(=O)OCC(C)OP(C)(=O)NC1CCC1.COCC(C)OP(C)(=O)Cl.COCC(C)O[P+](C)=O.ClCl.NC1CCC1.[Na+].[OH-]
InChIInChI=1S/C16H35ClNO9P3.C5H12ClO3P.C5H12O3P.C4H9N.C3H6O3P.C2H6.11CH4.Cl2.Na.H2O/c1-13(10-22-4)27-30(17,21)24-12-15(3)26-29(6,20)23-11-14(2)25-28(5,19)18-16-8-7-9-16;1-5(4-8-2)9-10(3,6)7;1-5(4-7-2)8-9(3)6;5-4-2-1-3-4;1-3-2-5-7(4)6-3;1-2;;;;;;;;;;;;1-2;;/h13-16H,7-12H2,1-6H3,(H,18,19);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3,5H2;3H,2H2,1H3;1-2H3;11*1H4;;;1H2/q;;+1;;+1;;;;;;;;;;;;;;+1;/p-1
InChIKeyMSESELRQAQLQRT-UHFFFAOYSA-M
XLogP16.33
TPSA281.23 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.15
LogP ≤ 516.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

3-(1-methoxypropan-2-yloxy)-N-methylcyclohexan-1-amine
CID 79618809
[3-[2-[tert-butyl-(cyclobutylamino)phosphoryl]oxypropoxy]-2,3-dimethylbutan-2-yl]-[1-[3-[chloro-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]phosphoryl]-2,3-dimethylbutan-2-yl]oxypropan-2-yloxy]-oxophosphanium
CID 123865746
2-(4-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603111
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491
cyclobutanamine;2-methoxyethanol
CID 156885948
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888

Frequently Asked Questions

What is the IUPAC name of sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide?
The IUPAC name of sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide (CID 157217893) is sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide.
What is the SMILES notation for sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide?
The canonical SMILES for sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide is C.C.C.C.C.C.C.C.C.C.C.CC.CC1CO[P+](=O)O1.COCC(C)OP(=O)(Cl)OCC(C)OP(C)(=O)OCC(C)OP(C)(=O)NC1CCC1.COCC(C)OP(C)(=O)Cl.COCC(C)O[P+](C)=O.ClCl.NC1CCC1.[Na+].[OH-].
What is the InChIKey of sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide?
The InChIKey is MSESELRQAQLQRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35ClNO9P3.C5H12ClO3P.C5H12O3P.C4H9N.C3H6O3P.C2H6.11CH4.Cl2.Na.H2O/c1-13(10-22-4)27-30(17,21)24-12-15(3)26-29(6,20)23-11-14(2)25-28(5,19)18-16-8-7-9-16;1-5(4-8-2)9-10(3,6)7;1-5(4-7-2)8-9(3)6;5-4-2-1-3-4;1-3-2-5-7(4)6-3;1-2;;;;;;;;;;;;1-2;;/h13-16H,7-12H2,1-6H3,(H,18,19);5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3,5H2;3H,2H2,1H3;1-2H3;11*1H4;;;1H2/q;;+1;;+1;;;;;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide?
sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide has a molecular weight of 1361.15 g/mol, XLogP of 16.33, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-[1-[1-[chloro(1-methoxypropan-2-yloxy)phosphoryl]oxypropan-2-yloxy-methylphosphoryl]oxypropan-2-yloxy-methylphosphoryl]cyclobutanamine;2-[chloro(methyl)phosphoryl]oxy-1-methoxypropane;cyclobutanamine;ethane;methane;1-methoxypropan-2-yloxy-methyl-oxophosphanium;4-methyl-1,3,2-dioxaphospholan-2-ium 2-oxide;molecular chlorine;hydroxide is sourced from PubChem (CID 157217893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).