methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid

C38H77N2O17PS — CID 162711098

IUPACmethyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid
SMILESCSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCOP(C)(=O)O
InChIInChI=1S/C38H77N2O17PS/c1-58(43,44)57-11-6-4-3-5-9-39-37(41)7-12-45-14-16-47-18-20-49-22-24-51-26-28-53-30-32-55-34-35-56-33-31-54-29-27-52-25-23-50-21-19-48-17-15-46-13-10-40-38(42)8-36-59-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)(H,43,44)
InChIKeyTYZSZHDLYHYFHX-UHFFFAOYSA-N
MW897.07 g/mol
LogP1.95
Rot. Bonds50

About methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid

methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid (PubChem CID 162711098) has the molecular formula C38H77N2O17PS and a molecular weight of 897.07 g/mol. Its IUPAC name is methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid
PubChem CID162711098
Molecular FormulaC38H77N2O17PS
Molecular Weight897.07 g/mol
Exact Mass896.47
IUPAC Namemethyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid
SMILESCSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCOP(C)(=O)O
InChIInChI=1S/C38H77N2O17PS/c1-58(43,44)57-11-6-4-3-5-9-39-37(41)7-12-45-14-16-47-18-20-49-22-24-51-26-28-53-30-32-55-34-35-56-33-31-54-29-27-52-25-23-50-21-19-48-17-15-46-13-10-40-38(42)8-36-59-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)(H,43,44)
InChIKeyTYZSZHDLYHYFHX-UHFFFAOYSA-N
XLogP1.95
TPSA215.49 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds50
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.07
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid with MolForge

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Related Compounds

methyl-[8-[2-[(10-methylsulfanyl-8-oxodecanoyl)amino]ethoxy]-8-oxooctoxy]phosphinic acid
CID 163441376
methyl-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[6-(3-methylsulfanylpropanoylamino)hexoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy-oxidophosphoryl]oxypropoxy]phosphinate
CID 162711085
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
N-[2-(2-chloroethoxy)ethyl]-3-methylsulfanylpropanamide
CID 114297749
4-[4-[1-[2-(2-methoxyethoxy)ethylcarbamoyloxy]-3-(2-methoxyethoxymethylcarbamoyloxy)propan-2-yl]oxybutanoylamino]butoxy-methylphosphinic acid
CID 59728788
fluoro 6-[3-[2-oxo-2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]sulfanylpropanoylamino]hexyl hydrogen phosphate
CID 153387086
6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
CID 118012875
8-[3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]octanoic acid
CID 118440317
6-[[5-[[1,10-bis[2-(2-aminooxyethoxy)ethylamino]-7-[2-(2-aminooxyethoxy)ethylcarbamoyl]-1,5,10-trioxodecan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy-methylphosphinic acid
CID 155134875
methyl-[6-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]hexoxy]phosphinic acid
CID 160766083
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
[5-[[1,7-dioxo-4-[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propyl]-1,7-bis[2-(2-prop-2-ynoxyethoxy)ethylamino]heptan-4-yl]amino]-5-oxopentoxy]-methylphosphinic acid
CID 142583423

Frequently Asked Questions

What is the IUPAC name of methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid?
The IUPAC name of methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid (CID 162711098) is methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid.
What is the SMILES notation for methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid?
The canonical SMILES for methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid is CSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCOP(C)(=O)O.
What is the InChIKey of methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid?
The InChIKey is TYZSZHDLYHYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77N2O17PS/c1-58(43,44)57-11-6-4-3-5-9-39-37(41)7-12-45-14-16-47-18-20-49-22-24-51-26-28-53-30-32-55-34-35-56-33-31-54-29-27-52-25-23-50-21-19-48-17-15-46-13-10-40-38(42)8-36-59-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)(H,43,44).
What are the key properties of methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid?
methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid has a molecular weight of 897.07 g/mol, XLogP of 1.95, 50 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylsulfanylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexoxy]phosphinic acid is sourced from PubChem (CID 162711098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).