3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C93H145NO23P2 — CID 165116619

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C93H145NO23P2/c95-90(96)50-54-101-56-58-103-60-62-105-64-66-107-68-70-109-72-74-111-76-77-112-75-73-110-71-69-108-67-65-106-63-61-104-59-57-102-55-53-94-91(97)93(92(98)113-80-85-40-26-21-27-41-85,51-36-17-13-9-5-1-3-7-11-15-19-38-78-118(99,114-81-86-42-28-22-29-43-86)115-82-87-44-30-23-31-45-87)52-37-18-14-10-6-2-4-8-12-16-20-39-79-119(100,116-83-88-46-32-24-33-47-88)117-84-89-48-34-25-35-49-89/h21-35,40-49H,1-20,36-39,50-84H2,(H,94,97)(H,95,96)
InChIKeyLYRHFYPKHGCIQY-UHFFFAOYSA-N
MW1707.11 g/mol
LogP18.90
Rot. Bonds85

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 165116619) has the molecular formula C93H145NO23P2 and a molecular weight of 1707.11 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID165116619
Molecular FormulaC93H145NO23P2
Molecular Weight1707.11 g/mol
Exact Mass1705.97
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C93H145NO23P2/c95-90(96)50-54-101-56-58-103-60-62-105-64-66-107-68-70-109-72-74-111-76-77-112-75-73-110-71-69-108-67-65-106-63-61-104-59-57-102-55-53-94-91(97)93(92(98)113-80-85-40-26-21-27-41-85,51-36-17-13-9-5-1-3-7-11-15-19-38-78-118(99,114-81-86-42-28-22-29-43-86)115-82-87-44-30-23-31-45-87)52-37-18-14-10-6-2-4-8-12-16-20-39-79-119(100,116-83-88-46-32-24-33-47-88)117-84-89-48-34-25-35-49-89/h21-35,40-49H,1-20,36-39,50-84H2,(H,94,97)(H,95,96)
InChIKeyLYRHFYPKHGCIQY-UHFFFAOYSA-N
XLogP18.90
TPSA274.52 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds85
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.11
LogP ≤ 518.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[17-oxo-2-(15-oxo-15-phenylmethoxypentadecyl)-17-phenylmethoxy-2-phenylmethoxycarbonylheptadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 165116481
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;1-O,11-O-dibenzyl 11-O-(2,5-dioxopyrrolidin-1-yl) docosane-1,11,11-tricarboxylate;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(13-oxo-13-phenylmethoxy-2-phenylmethoxycarbonyl-2-undecyltridecanoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 159292639
benzyl 3-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethylamino]-2,2-dimethyl-3-oxopropanoate
CID 166907155
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
2-[2-[5-[2-[2-[3-bis(phenylmethoxy)phosphorylpropanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
CID 163945395
3-[2-(2-carboxyethoxymethyl)-2-methyl-3-oxo-3-phenylmethoxypropoxy]propanoic acid
CID 177101859
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
dibenzyl 2-hexyl-2-nonylpropanedioate
CID 70122186
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
benzyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132103
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 165116619) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)(CCCCCCCCCCCCCCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is LYRHFYPKHGCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H145NO23P2/c95-90(96)50-54-101-56-58-103-60-62-105-64-66-107-68-70-109-72-74-111-76-77-112-75-73-110-71-69-108-67-65-106-63-61-104-59-57-102-55-53-94-91(97)93(92(98)113-80-85-40-26-21-27-41-85,51-36-17-13-9-5-1-3-7-11-15-19-38-78-118(99,114-81-86-42-28-22-29-43-86)115-82-87-44-30-23-31-45-87)52-37-18-14-10-6-2-4-8-12-16-20-39-79-119(100,116-83-88-46-32-24-33-47-88)117-84-89-48-34-25-35-49-89/h21-35,40-49H,1-20,36-39,50-84H2,(H,94,97)(H,95,96).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 1707.11 g/mol, XLogP of 18.90, 85 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[16-bis(phenylmethoxy)phosphoryl-2-[14-bis(phenylmethoxy)phosphoryltetradecyl]-2-phenylmethoxycarbonylhexadecanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 165116619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).