[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid

C153H183F3N17O33P3 — CID 159109345

IUPAC[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid
SMILESCC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCCCCC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)NCCCCCCCC(=O)C(F)c1ccccc1OP(=O)(O)O.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(N)C(=O)CCC(=O)C(F)c3ccccc3OP(=O)(O)O)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)cc1.CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.NCCC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C50H72FN6O13P.C37H38N4O5.C32H38FN4O7P.C24H22N2O3.C10H13FNO5P/c1-38(58)52-29-31-67-33-35-69-37-36-68-34-32-66-30-27-48(61)54-44(15-8-7-10-16-45(59)39-19-21-40(22-20-39)55-56-41-23-25-42(26-24-41)57(2)3)50(62)53-28-13-6-4-5-9-17-46(60)49(51)43-14-11-12-18-47(43)70-71(63,64)65;1-41(2)28-22-20-27(21-23-28)40-39-26-18-16-25(17-19-26)35(42)15-5-3-4-14-34(36(43)44)38-37(45)46-24-33-31-12-8-6-10-29(31)30-11-7-9-13-32(30)33;1-37(2)25-18-16-24(17-19-25)36-35-23-14-12-22(13-15-23)28(38)10-5-3-4-9-27(34)29(39)20-21-30(40)32(33)26-8-6-7-11-31(26)44-45(41,42)43;1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;11-10(8(13)5-6-12)7-3-1-2-4-9(7)17-18(14,15)16/h11-12,14,18-26,44,49H,4-10,13,15-17,27-37H2,1-3H3,(H,52,58)(H,53,62)(H,54,61)(H2,63,64,65);6-13,16-23,33-34H,3-5,14-15,24H2,1-2H3,(H,38,45)(H,43,44);6-8,11-19,27,32H,3-5,9-10,20-21,34H2,1-2H3,(H2,41,42,43);5-14H,1-4H3;1-4,10H,5-6,12H2,(H2,14,15,16)/b56-55+;40-39+;36-35+;;
InChIKeyKEHDBXPDGYHDJK-AAMCCDQASA-N
MW2938.15 g/mol
LogP26.36
Rot. Bonds80

About [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid

[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid (PubChem CID 159109345) has the molecular formula C153H183F3N17O33P3 and a molecular weight of 2938.15 g/mol. Its IUPAC name is [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid.

Molecular Properties

Compound Name[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid
PubChem CID159109345
Molecular FormulaC153H183F3N17O33P3
Molecular Weight2938.15 g/mol
Exact Mass2936.23
IUPAC Name[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid
SMILESCC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCCCCC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)NCCCCCCCC(=O)C(F)c1ccccc1OP(=O)(O)O.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(N)C(=O)CCC(=O)C(F)c3ccccc3OP(=O)(O)O)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)cc1.CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.NCCC(=O)C(F)c1ccccc1OP(=O)(O)O
InChIInChI=1S/C50H72FN6O13P.C37H38N4O5.C32H38FN4O7P.C24H22N2O3.C10H13FNO5P/c1-38(58)52-29-31-67-33-35-69-37-36-68-34-32-66-30-27-48(61)54-44(15-8-7-10-16-45(59)39-19-21-40(22-20-39)55-56-41-23-25-42(26-24-41)57(2)3)50(62)53-28-13-6-4-5-9-17-46(60)49(51)43-14-11-12-18-47(43)70-71(63,64)65;1-41(2)28-22-20-27(21-23-28)40-39-26-18-16-25(17-19-26)35(42)15-5-3-4-14-34(36(43)44)38-37(45)46-24-33-31-12-8-6-10-29(31)30-11-7-9-13-32(30)33;1-37(2)25-18-16-24(17-19-25)36-35-23-14-12-22(13-15-23)28(38)10-5-3-4-9-27(34)29(39)20-21-30(40)32(33)26-8-6-7-11-31(26)44-45(41,42)43;1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;11-10(8(13)5-6-12)7-3-1-2-4-9(7)17-18(14,15)16/h11-12,14,18-26,44,49H,4-10,13,15-17,27-37H2,1-3H3,(H,52,58)(H,53,62)(H,54,61)(H2,63,64,65);6-13,16-23,33-34H,3-5,14-15,24H2,1-2H3,(H,38,45)(H,43,44);6-8,11-19,27,32H,3-5,9-10,20-21,34H2,1-2H3,(H2,41,42,43);5-14H,1-4H3;1-4,10H,5-6,12H2,(H2,14,15,16)/b56-55+;40-39+;36-35+;;
InChIKeyKEHDBXPDGYHDJK-AAMCCDQASA-N
XLogP26.36
TPSA715.06 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds80
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002938.15
LogP ≤ 526.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid with MolForge

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Related Compounds

3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanoic acid;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 169450249
5-[[(2S)-1-(3-azidopropylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 175971475
2-[[2-(2-acetamidoethoxy)acetyl]amino]-13-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-8-oxotridecanamide;6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;tert-butyl N-[13-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-1-[2-(4-hydroxyphenyl)ethylamino]-1,8-dioxotridecan-2-yl]carbamate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;13-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxotridecanoic acid
CID 158720940
(2S)-6-[[(2S)-2,5-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanoyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 171569386
[9-[4-[[(5S)-5-amino-6-[[(5S)-6-amino-5-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamoyl]-2-carboxyphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 16677969
2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylcarbamoyl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylcarbamoyl]benzoate
CID 131952957
5-[[4-amino-5-[[1-[[1-[[1-[[1-[[1-[[1-[6-[[(2S,3S,4S)-3,4-dihydroxyoxolane-2-carbonyl]amino]hexanoylamino]-6-(ethanimidoylamino)-2-oxohexan-3-yl]amino]-5-(ethanimidoylamino)-1-oxopentan-2-yl]amino]-5-(ethanimidoylamino)-1-oxopentan-2-yl]amino]-5-(ethanimidoylamino)-1-oxopentan-2-yl]amino]-5-(ethanimidoylamino)-1-oxopentan-2-yl]amino]-5-(ethanimidoylamino)-1-oxopentan-2-yl]amino]-5-oxopentyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 24803951
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]hexanoic acid
CID 164586477
CID 175727431
CID 175727431
5-[[(5R)-5-carboxy-5-[[(2S)-2-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-4,7-dioxo-9-[2-[4-oxo-5-[(2S,3S)-3-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]pentoxy]ethoxy]nonanoyl]amino]pentyl]carbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
CID 159935616
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943
[9-[2-carboxy-4-[[11-[hydroxy(naphthalen-1-yloxy)phosphoryl]oxy-11-oxoundecyl]carbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 11216615

Frequently Asked Questions

What is the IUPAC name of [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid?
The IUPAC name of [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid (CID 159109345) is [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid.
What is the SMILES notation for [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid?
The canonical SMILES for [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid is CC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCCCCC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)NCCCCCCCC(=O)C(F)c1ccccc1OP(=O)(O)O.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(N)C(=O)CCC(=O)C(F)c3ccccc3OP(=O)(O)O)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)CCCCCC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)cc1.CN(C)c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1.NCCC(=O)C(F)c1ccccc1OP(=O)(O)O.
What is the InChIKey of [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid?
The InChIKey is KEHDBXPDGYHDJK-AAMCCDQASA-N. The full InChI is InChI=1S/C50H72FN6O13P.C37H38N4O5.C32H38FN4O7P.C24H22N2O3.C10H13FNO5P/c1-38(58)52-29-31-67-33-35-69-37-36-68-34-32-66-30-27-48(61)54-44(15-8-7-10-16-45(59)39-19-21-40(22-20-39)55-56-41-23-25-42(26-24-41)57(2)3)50(62)53-28-13-6-4-5-9-17-46(60)49(51)43-14-11-12-18-47(43)70-71(63,64)65;1-41(2)28-22-20-27(21-23-28)40-39-26-18-16-25(17-19-26)35(42)15-5-3-4-14-34(36(43)44)38-37(45)46-24-33-31-12-8-6-10-29(31)30-11-7-9-13-32(30)33;1-37(2)25-18-16-24(17-19-25)36-35-23-14-12-22(13-15-23)28(38)10-5-3-4-9-27(34)29(39)20-21-30(40)32(33)26-8-6-7-11-31(26)44-45(41,42)43;1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;11-10(8(13)5-6-12)7-3-1-2-4-9(7)17-18(14,15)16/h11-12,14,18-26,44,49H,4-10,13,15-17,27-37H2,1-3H3,(H,52,58)(H,53,62)(H,54,61)(H2,63,64,65);6-13,16-23,33-34H,3-5,14-15,24H2,1-2H3,(H,38,45)(H,43,44);6-8,11-19,27,32H,3-5,9-10,20-21,34H2,1-2H3,(H2,41,42,43);5-14H,1-4H3;1-4,10H,5-6,12H2,(H2,14,15,16)/b56-55+;40-39+;36-35+;;.
What are the key properties of [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid?
[2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid has a molecular weight of 2938.15 g/mol, XLogP of 26.36, 80 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[9-[[2-[3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-8-oxooctanoyl]amino]-1-fluoro-2-oxononyl]phenyl] dihydrogen phosphate;[2-[6-amino-12-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-1-fluoro-2,5,12-trioxododecyl]phenyl] dihydrogen phosphate;[2-(4-amino-1-fluoro-2-oxobutyl)phenyl] dihydrogen phosphate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate;8-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxooctanoic acid is sourced from PubChem (CID 159109345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).