tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium

C87H172N12O43P+ — CID 170560241

IUPACtris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCO[P+](O)(OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C87H171N12O43P/c88-97-94-7-13-107-22-28-113-34-40-119-46-52-125-58-64-131-70-76-137-82-79-134-73-67-128-61-55-122-49-43-116-37-31-110-25-19-104-10-1-85(100)91-4-16-140-143(103,141-17-5-92-86(101)2-11-105-20-26-111-32-38-117-44-50-123-56-62-129-68-74-135-80-83-138-77-71-132-65-59-126-53-47-120-41-35-114-29-23-108-14-8-95-98-89)142-18-6-93-87(102)3-12-106-21-27-112-33-39-118-45-51-124-57-63-130-69-75-136-81-84-139-78-72-133-66-60-127-54-48-121-42-36-115-30-24-109-15-9-96-99-90/h103H,1-84H2,(H2-,91,92,93,100,101,102)/p+1
InChIKeyPHEZGAPOYBMLDH-UHFFFAOYSA-O
MW2105.35 g/mol
LogP1.75
Rot. Bonds129

About tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium

tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium (PubChem CID 170560241) has the molecular formula C87H172N12O43P+ and a molecular weight of 2105.35 g/mol. Its IUPAC name is tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium.

Molecular Properties

Compound Nametris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium
PubChem CID170560241
Molecular FormulaC87H172N12O43P+
Molecular Weight2105.35 g/mol
Exact Mass2104.14
IUPAC Nametris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCO[P+](O)(OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C87H171N12O43P/c88-97-94-7-13-107-22-28-113-34-40-119-46-52-125-58-64-131-70-76-137-82-79-134-73-67-128-61-55-122-49-43-116-37-31-110-25-19-104-10-1-85(100)91-4-16-140-143(103,141-17-5-92-86(101)2-11-105-20-26-111-32-38-117-44-50-123-56-62-129-68-74-135-80-83-138-77-71-132-65-59-126-53-47-120-41-35-114-29-23-108-14-8-95-98-89)142-18-6-93-87(102)3-12-106-21-27-112-33-39-118-45-51-124-57-63-130-69-75-136-81-84-139-78-72-133-66-60-127-54-48-121-42-36-115-30-24-109-15-9-96-99-90/h103H,1-84H2,(H2-,91,92,93,100,101,102)/p+1
InChIKeyPHEZGAPOYBMLDH-UHFFFAOYSA-O
XLogP1.75
TPSA613.78 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds129
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002105.35
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]propan-2-yl]propanamide
CID 164702946
4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855341
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[5-(diiodoamino)pentyl]propanamide
CID 90446025
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide
CID 118282717
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-[[3-(methylamino)-3-oxopropyl]disulfanyl]ethyl]propanamide
CID 118362426
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
tert-butyl N-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 164702959

Frequently Asked Questions

What is the IUPAC name of tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium?
The IUPAC name of tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium (CID 170560241) is tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium.
What is the SMILES notation for tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium?
The canonical SMILES for tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCO[P+](O)(OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium?
The InChIKey is PHEZGAPOYBMLDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C87H171N12O43P/c88-97-94-7-13-107-22-28-113-34-40-119-46-52-125-58-64-131-70-76-137-82-79-134-73-67-128-61-55-122-49-43-116-37-31-110-25-19-104-10-1-85(100)91-4-16-140-143(103,141-17-5-92-86(101)2-11-105-20-26-111-32-38-117-44-50-123-56-62-129-68-74-135-80-83-138-77-71-132-65-59-126-53-47-120-41-35-114-29-23-108-14-8-95-98-89)142-18-6-93-87(102)3-12-106-21-27-112-33-39-118-45-51-124-57-63-130-69-75-136-81-84-139-78-72-133-66-60-127-54-48-121-42-36-115-30-24-109-15-9-96-99-90/h103H,1-84H2,(H2-,91,92,93,100,101,102)/p+1.
What are the key properties of tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium?
tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium has a molecular weight of 2105.35 g/mol, XLogP of 1.75, 129 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium is sourced from PubChem (CID 170560241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).