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

C170H181F2N30O37S2- — CID 158794918

About 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

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 (PubChem CID 158794918) has the molecular formula C170H181F2N30O37S2- and a molecular weight of 3338.62 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158794918
• Molecular Formula: C170H181F2N30O37S2-
• Molecular Weight: 3338.62 g/mol
• Exact Mass: 3336.26
• IUPAC Name: 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
• SMILES: C=c1cc2c(cc1F)=C(c1ccc(C(=O)NCC3CCN(CC(O)Cn4ccnc4[N+](=O)[O-])CC3)cc1C(=O)O)c1cc(F)c(O)cc1O2.Nc1ccc2c(-c3ccc(C(=O)NCC4CCN(CC(O)Cn5ccnc5[N+](=O)[O-])CC4)cc3C(=O)NCC3CCN(CC(O)Cn4ccnc4[N+](=O)[O-])CC3)c3ccc(=[NH2+])c(S(=O)(=O)[O-])c-3oc2c1S(=O)(=O)[O-].O=C(CCC1CCN(CC(O)Cn2ccnc2[N+](=O)[O-])CC1)c1ccc(C(=O)[O-])c(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c1.O=C(NCC1CCN(CC(O)Cn2ccnc2[N+](=O)[O-])CC1)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)[O-])c1
• InChI: InChI=1S/C46H50N6O7.C45H52N12O15S2.C45H49N7O7.C34H31F2N5O8/c53-32(27-51-22-15-47-46(51)52(57)58)26-48-20-13-28(14-21-48)9-12-39(54)29-10-11-33(45(55)56)36(23-29)40-37-24-30-5-1-16-49-18-3-7-34(41(30)49)43(37)59-44-35-8-4-19-50-17-2-6-31(42(35)50)25-38(40)44;46-35-5-3-32-37(33-4-6-36(47)41(74(69,70)71)39(33)72-38(32)40(35)73(66,67)68)31-2-1-28(42(60)50-20-26-7-13-52(14-8-26)22-29(58)24-54-17-11-48-44(54)56(62)63)19-34(31)43(61)51-21-27-9-15-53(16-10-27)23-30(59)25-55-18-12-49-45(55)57(64)65;53-31(26-51-20-13-46-45(51)52(57)58)25-48-18-11-27(12-19-48)24-47-43(54)30-9-10-32(35(23-30)44(55)56)38-36-21-28-5-1-14-49-16-3-7-33(39(28)49)41(36)59-42-34-8-4-17-50-15-2-6-29(40(34)50)22-37(38)42;1-18-10-29-24(12-26(18)35)31(25-13-27(36)28(43)14-30(25)49-29)22-3-2-20(11-23(22)33(45)46)32(44)38-15-19-4-7-39(8-5-19)16-21(42)17-40-9-6-37-34(40)41(47)48/h10-11,15,22-25,28,32,53H,1-9,12-14,16-21,26-27H2;1-6,11-12,17-19,26-27,29-30,46,58-59H,7-10,13-16,20-25,47H2,(H,50,60)(H,51,61)(H,66,67,68)(H,69,70,71);9-10,13,20-23,27,31,53H,1-8,11-12,14-19,24-26H2,(H-,47,54,55,56);2-3,6,9-14,19,21,42-43H,1,4-5,7-8,15-17H2,(H,38,44)(H,45,46)/p-1
• InChIKey: ISSZFDVHTBHFOB-UHFFFAOYSA-M
• XLogP: 7.63
• TPSA: 912.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 54
• Rotatable Bonds: 50
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.62
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=c1cc2c(cc1F)=C(c1ccc(C(=O)NCC3CCN(CC(O)Cn4ccnc4[N+](=O)[O-])CC3)cc1C(=O)O)c1cc(F)c(O)cc1O2.Nc1ccc2c(-c3ccc(C(=O)NCC4CCN(CC(O)Cn5ccnc5[N+](=O)[O-])CC4)cc3C(=O)NCC3CCN(CC(O)Cn4ccnc4[N+](=O)[O-])CC3)c3ccc(=[NH2+])c(S(=O)(=O)[O-])c-3oc2c1S(=O)(=O)[O-].O=C(CCC1CCN(CC(O)Cn2ccnc2[N+](=O)[O-])CC1)c1ccc(C(=O)[O-])c(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c1.O=C(NCC1CCN(CC(O)Cn2ccnc2[N+](=O)[O-])CC1)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(C(=O)[O-])c1.

What is the InChIKey of 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?

The InChIKey is ISSZFDVHTBHFOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C46H50N6O7.C45H52N12O15S2.C45H49N7O7.C34H31F2N5O8/c53-32(27-51-22-15-47-46(51)52(57)58)26-48-20-13-28(14-21-48)9-12-39(54)29-10-11-33(45(55)56)36(23-29)40-37-24-30-5-1-16-49-18-3-7-34(41(30)49)43(37)59-44-35-8-4-19-50-17-2-6-31(42(35)50)25-38(40)44;46-35-5-3-32-37(33-4-6-36(47)41(74(69,70)71)39(33)72-38(32)40(35)73(66,67)68)31-2-1-28(42(60)50-20-26-7-13-52(14-8-26)22-29(58)24-54-17-11-48-44(54)56(62)63)19-34(31)43(61)51-21-27-9-15-53(16-10-27)23-30(59)25-55-18-12-49-45(55)57(64)65;53-31(26-51-20-13-46-45(51)52(57)58)25-48-18-11-27(12-19-48)24-47-43(54)30-9-10-32(35(23-30)44(55)56)38-36-21-28-5-1-14-49-16-3-7-33(39(28)49)41(36)59-42-34-8-4-17-50-15-2-6-29(40(34)50)22-37(38)42;1-18-10-29-24(12-26(18)35)31(25-13-27(36)28(43)14-30(25)49-29)22-3-2-20(11-23(22)33(45)46)32(44)38-15-19-4-7-39(8-5-19)16-21(42)17-40-9-6-37-34(40)41(47)48/h10-11,15,22-25,28,32,53H,1-9,12-14,16-21,26-27H2;1-6,11-12,17-19,26-27,29-30,46,58-59H,7-10,13-16,20-25,47H2,(H,50,60)(H,51,61)(H,66,67,68)(H,69,70,71);9-10,13,20-23,27,31,53H,1-8,11-12,14-19,24-26H2,(H-,47,54,55,56);2-3,6,9-14,19,21,42-43H,1,4-5,7-8,15-17H2,(H,38,44)(H,45,46)/p-1.

What are the key properties of 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?

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 has a molecular weight of 3338.62 g/mol, XLogP of 7.63, 50 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158794918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).