[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid

C122H132N6O18S+4 — CID 161364714

IUPAC[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
SMILESCC(C)C(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(=O)C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.Cc1c2oc3c(S(=O)(=O)O)c(N)ccc3c(-c3ccc(C(=O)C(C)C)cc3C(=O)O)c-2ccc1=[NH2+]
InChIInChI=1S/C36H36N2O4.C31H35NO4.C30H35NO3.C25H22N2O7S/c1-20(2)33(39)23-11-12-24(27(19-23)36(40)41)30-28-17-21-7-3-13-37-15-5-9-25(31(21)37)34(28)42-35-26-10-6-16-38-14-4-8-22(32(26)38)18-29(30)35;1-7-9-20-15-27-24(12-18(20)5)29(25-13-19(6)26(32-8-2)16-28(25)36-27)22-11-10-21(30(33)17(3)4)14-23(22)31(34)35;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-11(2)21(28)13-4-5-14(17(10-13)25(29)30)20-15-6-8-18(26)12(3)22(15)34-23-16(20)7-9-19(27)24(23)35(31,32)33/h11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,34,35);10-17,25,29H,7-9H2,1-6H3,(H,32,33);4-11,26H,27H2,1-3H3,(H,29,30)(H,31,32,33)/p+4/b;32-26+;31-26+;
InChIKeyAYGVUWMZKMCLPX-ASNZIWHNSA-R
MW2002.49 g/mol
LogP17.50
Rot. Bonds22

About [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid

[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid (PubChem CID 161364714) has the molecular formula C122H132N6O18S+4 and a molecular weight of 2002.49 g/mol. Its IUPAC name is [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid.

Molecular Properties

Compound Name[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
PubChem CID161364714
Molecular FormulaC122H132N6O18S+4
Molecular Weight2002.49 g/mol
Exact Mass2000.93
IUPAC Name[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
SMILESCC(C)C(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(=O)C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.Cc1c2oc3c(S(=O)(=O)O)c(N)ccc3c(-c3ccc(C(=O)C(C)C)cc3C(=O)O)c-2ccc1=[NH2+]
InChIInChI=1S/C36H36N2O4.C31H35NO4.C30H35NO3.C25H22N2O7S/c1-20(2)33(39)23-11-12-24(27(19-23)36(40)41)30-28-17-21-7-3-13-37-15-5-9-25(31(21)37)34(28)42-35-26-10-6-16-38-14-4-8-22(32(26)38)18-29(30)35;1-7-9-20-15-27-24(12-18(20)5)29(25-13-19(6)26(32-8-2)16-28(25)36-27)22-11-10-21(30(33)17(3)4)14-23(22)31(34)35;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-11(2)21(28)13-4-5-14(17(10-13)25(29)30)20-15-6-8-18(26)12(3)22(15)34-23-16(20)7-9-19(27)24(23)35(31,32)33/h11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,34,35);10-17,25,29H,7-9H2,1-6H3,(H,32,33);4-11,26H,27H2,1-3H3,(H,29,30)(H,31,32,33)/p+4/b;32-26+;31-26+;
InChIKeyAYGVUWMZKMCLPX-ASNZIWHNSA-R
XLogP17.50
TPSA381.41 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.49
LogP ≤ 517.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid with MolForge

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Related Compounds

3-amino-6-azaniumylidene-9-[2-carboxy-4-(2,2,3-trimethylbutylcarbamoyl)phenyl]xanthene-4,5-disulfonate;[9-[2-carboxy-4-(2,2,3-trimethylbutylcarbamoyl)phenyl]-6-ethyl-2,7-dimethyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;2-[(1E,3E,5Z)-5-(1-ethyl-3,3,5-trimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethyl-1-[6-oxo-6-(2,2,3-trimethylbutylamino)hexyl]indol-1-ium-5-sulfonate;bis(2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-(2,2,3-trimethylbutylcarbamoyl)benzoic acid);[4-[[5-oxo-5-(2,2,3-trimethylbutylamino)pentyl]carbamoyl]phenyl]boronic acid;3-propoxy-N-(2,2,3-trimethylbutyl)propanamide;N-(2,2,3-trimethylbutyl)pentanamide
CID 157300034
2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-4-propan-2-ylbenzoic acid
CID 153385246
[6-amino-9-[2-[ethyl(methyl)carbamoyl]-4-(2-methylpropanoyl)phenyl]-4,5-disulfoxanthen-3-ylidene]azanium
CID 170539860
3-amino-6-azaniumylidene-9-[2,4-bis[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]phenyl]xanthene-4,5-disulfonate;2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)-5-[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]benzoic acid;5-[[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]methylcarbamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate;4-[3-[1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-4-yl]propanoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
CID 158794918
[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
CID 157233214
4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid chloride
CID 162309392
5-methyl-2-[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]aniline;2,2,2-trifluoroacetate
CID 162307931
3-chlorosulfonyl-4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid
CID 12065190
methyl 4-methyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
CID 129129728
methanesulfonate;methanesulfonyl chloride;16-phenyl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
CID 161044350
5-(hexylsulfamoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonic acid
CID 121290211
5-[4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]butanoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid
CID 158430329

Frequently Asked Questions

What is the IUPAC name of [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid?
The IUPAC name of [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid (CID 161364714) is [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid.
What is the SMILES notation for [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid?
The canonical SMILES for [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid is CC(C)C(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)O)c1.CCCc1cc2c(cc1C)C(c1ccc(C(=O)C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.CCCc1cc2c(cc1C)C(c1ccc(C(C)C)cc1C(=O)O)C1C=C(C)/C(=[NH+]/CC)C=C1O2.Cc1c2oc3c(S(=O)(=O)O)c(N)ccc3c(-c3ccc(C(=O)C(C)C)cc3C(=O)O)c-2ccc1=[NH2+].
What is the InChIKey of [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid?
The InChIKey is AYGVUWMZKMCLPX-ASNZIWHNSA-R. The full InChI is InChI=1S/C36H36N2O4.C31H35NO4.C30H35NO3.C25H22N2O7S/c1-20(2)33(39)23-11-12-24(27(19-23)36(40)41)30-28-17-21-7-3-13-37-15-5-9-25(31(21)37)34(28)42-35-26-10-6-16-38-14-4-8-22(32(26)38)18-29(30)35;1-7-9-20-15-27-24(12-18(20)5)29(25-13-19(6)26(32-8-2)16-28(25)36-27)22-11-10-21(30(33)17(3)4)14-23(22)31(34)35;1-7-9-21-15-27-24(12-18(21)5)29(22-11-10-20(17(3)4)14-23(22)30(32)33)25-13-19(6)26(31-8-2)16-28(25)34-27;1-11(2)21(28)13-4-5-14(17(10-13)25(29)30)20-15-6-8-18(26)12(3)22(15)34-23-16(20)7-9-19(27)24(23)35(31,32)33/h11-12,17-20H,3-10,13-16H2,1-2H3;10-17,25,29H,7-9H2,1-6H3,(H,34,35);10-17,25,29H,7-9H2,1-6H3,(H,32,33);4-11,26H,27H2,1-3H3,(H,29,30)(H,31,32,33)/p+4/b;32-26+;31-26+;.
What are the key properties of [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid?
[6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid has a molecular weight of 2002.49 g/mol, XLogP of 17.50, 22 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-4-methyl-5-sulfoxanthen-3-ylidene]azanium;[9-[2-carboxy-4-(2-methylpropanoyl)phenyl]-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;[9-(2-carboxy-4-propan-2-ylphenyl)-2,7-dimethyl-6-propyl-9,9a-dihydroxanthen-3-ylidene]-ethylazanium;5-(2-methylpropanoyl)-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoic acid is sourced from PubChem (CID 161364714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).