2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid

C110H183N5O41 — CID 158042176

IUPAC2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid
SMILESCCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC)(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1)CC(C)=O
InChIInChI=1S/C110H183N5O41/c1-5-30-128-43-53-138-56-46-131-33-10-13-93(117)21-35-153-87-110(88-154-36-22-94(118)14-11-34-132-47-57-139-54-44-129-31-6-2,89-155-39-24-104(122)112-27-40-135-50-60-140-55-45-130-32-7-3)115-105(123)25-38-134-49-59-142-63-65-143-61-51-136-41-28-113-107(124)91(83-90(4)116)12-8-9-26-111-103(121)23-37-133-48-58-141-64-67-145-69-71-147-73-75-149-77-79-151-81-82-152-80-78-150-76-74-148-72-70-146-68-66-144-62-52-137-42-29-114-108(125)92-15-18-97(100(84-92)109(126)127)106-98-19-16-95(119)85-101(98)156-102-86-96(120)17-20-99(102)106/h15-20,84-86,91,106,119-120H,5-14,21-83,87-89H2,1-4H3,(H,111,121)(H,112,122)(H,113,124)(H,114,125)(H,115,123)(H,126,127)
InChIKeyZOMGOLOPVKAQDC-UHFFFAOYSA-N
MW2231.67 g/mol
LogP7.12
Rot. Bonds116

About 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid

2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid (PubChem CID 158042176) has the molecular formula C110H183N5O41 and a molecular weight of 2231.67 g/mol. Its IUPAC name is 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid
PubChem CID158042176
Molecular FormulaC110H183N5O41
Molecular Weight2231.67 g/mol
Exact Mass2230.24
IUPAC Name2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid
SMILESCCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC)(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1)CC(C)=O
InChIInChI=1S/C110H183N5O41/c1-5-30-128-43-53-138-56-46-131-33-10-13-93(117)21-35-153-87-110(88-154-36-22-94(118)14-11-34-132-47-57-139-54-44-129-31-6-2,89-155-39-24-104(122)112-27-40-135-50-60-140-55-45-130-32-7-3)115-105(123)25-38-134-49-59-142-63-65-143-61-51-136-41-28-113-107(124)91(83-90(4)116)12-8-9-26-111-103(121)23-37-133-48-58-141-64-67-145-69-71-147-73-75-149-77-79-151-81-82-152-80-78-150-76-74-148-72-70-146-68-66-144-62-52-137-42-29-114-108(125)92-15-18-97(100(84-92)109(126)127)106-98-19-16-95(119)85-101(98)156-102-86-96(120)17-20-99(102)106/h15-20,84-86,91,106,119-120H,5-14,21-83,87-89H2,1-4H3,(H,111,121)(H,112,122)(H,113,124)(H,114,125)(H,115,123)(H,126,127)
InChIKeyZOMGOLOPVKAQDC-UHFFFAOYSA-N
XLogP7.12
TPSA542.14 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds116
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.67
LogP ≤ 57.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-(2-sulfanylethylcarbamoyl)benzoic acid
CID 177097736
(2S)-2-[[[(2S)-2-carboxy-2-[[(4S)-4-carboxy-4-[6-[[3-carboxy-4-(3,6-dihydroxy-9H-xanthen-9-yl)benzoyl]amino]hexanoylamino]butanoyl]amino]ethoxy]-hydroxyphosphoryl]amino]butanedioic acid
CID 91531373
N-[1-[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[5,5-bis(6-methoxyhexoxymethyl)-6-(6-methoxy-3-oxohexoxy)-3-oxohexoxy]ethylamino]-3-oxopropoxy]methyl]-3-[3-[2-[6-(6-methoxy-3-oxohexoxy)-5,5-bis[(6-methoxy-3-oxohexoxy)methyl]-3-oxohexoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-propoxypropanamide
CID 158419828
8-[8-[3-[2-[[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]-3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid;2-[2-[2-[11-[3-[2-[[3-[[11-[2-[2-(2-formyloxyethoxy)ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]methyl]-2-methyl-3-[3-oxo-3-[[8-oxo-8-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]octyl]amino]propoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]ethyl formate;2-[2-[2-[11-[3-[2-[[3-[[11-[2-[2-(2-formyloxyethoxy)ethoxy]ethoxy]-8-oxoundecyl]amino]-3-oxopropoxy]methyl]-3-[3-oxo-3-[[8-oxo-8-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]octyl]amino]propoxy]propoxy]propanoylamino]-4-oxoundecoxy]ethoxy]ethoxy]ethyl formate
CID 158724540
11-[[5-carboxy-5-[(1-carboxy-4-oxopentyl)carbamoylamino]pentyl]amino]-4,11-dioxo-2-pentylundecanoic acid;2-[[1-carboxy-5-(8-oxopentadecanoylamino)pentyl]carbamoylamino]-5-oxohexanoic acid;2-[[1-carboxy-5-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]pentyl]carbamoylamino]-5-oxohexanoic acid
CID 158432822
(2R)-2-[3-[2-[2-[(4R)-7-[[(1S)-7-[2-[2-[[(2S)-1-amino-6-[[4-(butylamino)benzoyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-4-carboxy-2,7-dioxoheptoxy]ethoxy]ethylamino]-3-oxopropyl]-4,10-dioxoundecanedioic acid
CID 157201963
[2-[2-[2-[6-[3-[3-[2-[2-[2-(3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]-4-oxohexoxy]ethoxy]ethoxy]-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 158697666
8-[2-[2-[2-[2-[2-[(5-ethyl-6-oxoheptyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-(octadecanoylamino)-5-oxooctanoic acid;N-(5-methyl-6-oxoheptyl)-4-[(4-methyl-5-oxohexanoyl)amino]benzamide
CID 158687943
4-[10-[[(1S)-7-[2-[2-[2-[2-[2-[[(5R,9S)-5-acetyl-9-(methylamino)-8-oxododecyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-1-carboxy-4-oxoheptyl]amino]-10-oxodecoxy]benzoic acid;4-[13-[2-[2-[2-[2-[2-[[1-carboxy-4-[[(9S)-5-carboxy-9-(methylamino)-8-oxododecyl]amino]-4-oxobutyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-10-oxotridecoxy]benzoic acid;4-[(12R)-12-carboxy-10,15-dioxo-15-[2-[2-[2-oxo-5-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]pentoxy]ethoxy]ethylamino]pentadecoxy]benzoic acid;4-[10-[2-[2-[5-[2-[(4S)-4-carboxy-7-oxo-7-(propylamino)heptoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-10-oxodecoxy]benzoic acid
CID 159851846
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 157159220
tert-butyl-[6-[[5-[[1-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropoxy]methyl]-3-[9-(4-methylphenyl)-3,9-dioxononoxy]propan-2-yl]amino]-5-oxopentanoyl]amino]hexoxy]phosphinic acid
CID 157443109
3-[2-[2-[2-[(5S)-5-[3-[2-[2-[2-[5,9-bis[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-9-[3-[2-[2-[2-[2-[[(2S)-6-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-2-[4-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxononoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162223526

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid?
The IUPAC name of 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid (CID 158042176) is 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid?
The canonical SMILES for 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid is CCCOCCOCCOCCCC(=O)CCOCC(COCCC(=O)CCCOCCOCCOCCC)(COCCC(=O)NCCOCCOCCOCCC)NC(=O)CCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1)CC(C)=O.
What is the InChIKey of 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid?
The InChIKey is ZOMGOLOPVKAQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H183N5O41/c1-5-30-128-43-53-138-56-46-131-33-10-13-93(117)21-35-153-87-110(88-154-36-22-94(118)14-11-34-132-47-57-139-54-44-129-31-6-2,89-155-39-24-104(122)112-27-40-135-50-60-140-55-45-130-32-7-3)115-105(123)25-38-134-49-59-142-63-65-143-61-51-136-41-28-113-107(124)91(83-90(4)116)12-8-9-26-111-103(121)23-37-133-48-58-141-64-67-145-69-71-147-73-75-149-77-79-151-81-82-152-80-78-150-76-74-148-72-70-146-68-66-144-62-52-137-42-29-114-108(125)92-15-18-97(100(84-92)109(126)127)106-98-19-16-95(119)85-101(98)156-102-86-96(120)17-20-99(102)106/h15-20,84-86,91,106,119-120H,5-14,21-83,87-89H2,1-4H3,(H,111,121)(H,112,122)(H,113,124)(H,114,125)(H,115,123)(H,126,127).
What are the key properties of 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid?
2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid has a molecular weight of 2231.67 g/mol, XLogP of 7.12, 116 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[7-oxo-5-[2-[2-[2-[2-[3-oxo-3-[[1-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]-3-[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]-2-[[3-oxo-6-[2-(2-propoxyethoxy)ethoxy]hexoxy]methyl]propan-2-yl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]octyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 158042176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).