3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate

C75H128N24O37 — CID 166504194

IUPAC3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate
SMILES[N-]=[N+]=NCCCOC(=O)COCCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-]
InChIInChI=1S/C75H128N24O37/c76-92-84-10-1-20-129-68(100)54-109-19-9-18-108-42-62(123-36-30-112-56-70(102)131-22-3-12-86-94-78)44-118-46-64(125-38-32-114-58-72(104)133-24-5-14-88-96-80)48-120-50-66(127-40-34-116-60-74(106)135-26-7-16-90-98-82)52-122-53-67(128-41-35-117-61-75(107)136-27-8-17-91-99-83)51-121-49-65(126-39-33-115-59-73(105)134-25-6-15-89-97-81)47-119-45-63(124-37-31-113-57-71(103)132-23-4-13-87-95-79)43-110-28-29-111-55-69(101)130-21-2-11-85-93-77/h62-67H,1-61H2
InChIKeyDUBCAPXDYZMYJA-UHFFFAOYSA-N
MW1957.98 g/mol
LogP5.89
Rot. Bonds103

About 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate

3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate (PubChem CID 166504194) has the molecular formula C75H128N24O37 and a molecular weight of 1957.98 g/mol. Its IUPAC name is 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate.

Molecular Properties

Compound Name3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate
PubChem CID166504194
Molecular FormulaC75H128N24O37
Molecular Weight1957.98 g/mol
Exact Mass1956.89
IUPAC Name3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate
SMILES[N-]=[N+]=NCCCOC(=O)COCCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-]
InChIInChI=1S/C75H128N24O37/c76-92-84-10-1-20-129-68(100)54-109-19-9-18-108-42-62(123-36-30-112-56-70(102)131-22-3-12-86-94-78)44-118-46-64(125-38-32-114-58-72(104)133-24-5-14-88-96-80)48-120-50-66(127-40-34-116-60-74(106)135-26-7-16-90-98-82)52-122-53-67(128-41-35-117-61-75(107)136-27-8-17-91-99-83)51-121-49-65(126-39-33-115-59-73(105)134-25-6-15-89-97-81)47-119-45-63(124-37-31-113-57-71(103)132-23-4-13-87-95-79)43-110-28-29-111-55-69(101)130-21-2-11-85-93-77/h62-67H,1-61H2
InChIKeyDUBCAPXDYZMYJA-UHFFFAOYSA-N
XLogP5.89
TPSA794.31 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds103
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001957.98
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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'}

Analyze 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate with MolForge

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Related Compounds

2-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[2-[2-[4-(3-azidopropylamino)-4-oxobutanoyl]oxyethoxy]-3-[3-[4-(3-azidopropylamino)-4-oxobutanoyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethyl 8-azido-4-oxooctanoate
CID 167674428
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
CID 135390378
[(Z)-non-2-enyl] 8-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-[8-[(Z)-non-2-enoxy]-8-oxooctoxy]propoxy]octanoate
CID 169059670
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
5-azidopentyl 3-[bis[3-(5-azidopentoxy)-3-oxopropyl]amino]propanoate
CID 132604980
3-[2-[2-[2-(3-aminopropoxy)ethoxy]-3-[2,3-bis[2-(3-aminopropoxy)ethoxy]propoxy]propoxy]ethoxy]propan-1-amine
CID 59459957

Frequently Asked Questions

What is the IUPAC name of 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate?
The IUPAC name of 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate (CID 166504194) is 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate.
What is the SMILES notation for 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate?
The canonical SMILES for 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate is [N-]=[N+]=NCCCOC(=O)COCCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-])OCCOCC(=O)OCCCN=[N+]=[N-].
What is the InChIKey of 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate?
The InChIKey is DUBCAPXDYZMYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H128N24O37/c76-92-84-10-1-20-129-68(100)54-109-19-9-18-108-42-62(123-36-30-112-56-70(102)131-22-3-12-86-94-78)44-118-46-64(125-38-32-114-58-72(104)133-24-5-14-88-96-80)48-120-50-66(127-40-34-116-60-74(106)135-26-7-16-90-98-82)52-122-53-67(128-41-35-117-61-75(107)136-27-8-17-91-99-83)51-121-49-65(126-39-33-115-59-73(105)134-25-6-15-89-97-81)47-119-45-63(124-37-31-113-57-71(103)132-23-4-13-87-95-79)43-110-28-29-111-55-69(101)130-21-2-11-85-93-77/h62-67H,1-61H2.
What are the key properties of 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate?
3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate has a molecular weight of 1957.98 g/mol, XLogP of 5.89, 103 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropyl 2-[3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2-[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]-3-[2,3-bis[2-[2-(3-azidopropoxy)-2-oxoethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]acetate is sourced from PubChem (CID 166504194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).