4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)

C166H212N34O41S4 — CID 157286532

About 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)

4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate) (PubChem CID 157286532) has the molecular formula C166H212N34O41S4 and a molecular weight of 3467.99 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate).

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)
• PubChem CID: 157286532
• Molecular Formula: C166H212N34O41S4
• Molecular Weight: 3467.99 g/mol
• Exact Mass: 3465.44
• IUPAC Name: 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)
• SMILES: C=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1cc(C(=O)NCCOCCOCCOCCn2nncc2CO[C@@H]2[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]2n2cnc3c(N)ncnc32)ccc1C(=O)O.CS(=O)(=O)CCCOCCOCCOCCn1nncc1CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[C@@H](N)CC[C@H](N)C(=O)O.CS(=O)(=O)NCCCOCCOCCOCCCNCCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3
• InChI: InChI=1S/C48H55N11O13.2C31H30N2O4S.C28H46N10O10S.C28H51N9O10S/c1-26-2-6-32-36(18-26)71-37-21-30(60)5-8-33(37)39(32)34-19-27(3-7-31(34)47(63)64)45(62)52-10-12-67-14-16-69-17-15-68-13-11-59-29(22-56-57-59)23-70-42-41(61)38(20-28(49)4-9-35(50)48(65)66)72-46(42)58-25-55-40-43(51)53-24-54-44(40)58;2*34-38(35,36)26-12-2-1-9-21(26)27-24-17-19-7-3-13-32-15-5-10-22(28(19)32)30(24)37-31-23-11-6-16-33-14-4-8-20(29(23)33)18-25(27)31;1-49(42,43)12-2-6-44-8-10-46-11-9-45-7-5-38-19(14-35-36-38)15-47-24-21(13-18(29)3-4-20(30)28(40)41)48-27(23(24)39)37-17-34-22-25(31)32-16-33-26(22)37;1-48(41,42)36-7-3-10-44-13-15-45-14-12-43-9-2-6-32-8-11-46-24-23(38)21(16-19(29)4-5-20(30)28(39)40)47-27(24)37-18-35-22-25(31)33-17-34-26(22)37/h2-3,5-8,18-19,21-22,24-25,28,35,38,41-42,46,60-61H,1,4,9-17,20,23,49-50H2,(H,52,62)(H,63,64)(H,65,66)(H2,51,53,54);2*1-2,9,12,17-18H,3-8,10-11,13-16H2;14,16-18,20-21,23-24,27,39H,2-13,15,29-30H2,1H3,(H,40,41)(H2,31,32,33);17-21,23-24,27,32,36,38H,2-16,29-30H2,1H3,(H,39,40)(H2,31,33,34)/t28-,35-,38+,41+,42+,46+;;;18-,20-,21+,23+,24+,27+;19-,20-,21+,23+,24+,27+/m0..00/s1
• InChIKey: BAHLJWQXZLUPHN-ATOQZQSPSA-N
• XLogP: 2.62
• TPSA: 1071.00 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 67
• Rotatable Bonds: 78
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3467.99
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)?

The IUPAC name of 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate) (CID 157286532) is 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate).

What is the SMILES notation for 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)?

The canonical SMILES for 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate) is C=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1cc(C(=O)NCCOCCOCCOCCn2nncc2CO[C@@H]2[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]2n2cnc3c(N)ncnc32)ccc1C(=O)O.CS(=O)(=O)CCCOCCOCCOCCn1nncc1CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[C@@H](N)CC[C@H](N)C(=O)O.CS(=O)(=O)NCCCOCCOCCOCCCNCCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.O=S(=O)([O-])c1ccccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3.

What is the InChIKey of 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)?

The InChIKey is BAHLJWQXZLUPHN-ATOQZQSPSA-N. The full InChI is InChI=1S/C48H55N11O13.2C31H30N2O4S.C28H46N10O10S.C28H51N9O10S/c1-26-2-6-32-36(18-26)71-37-21-30(60)5-8-33(37)39(32)34-19-27(3-7-31(34)47(63)64)45(62)52-10-12-67-14-16-69-17-15-68-13-11-59-29(22-56-57-59)23-70-42-41(61)38(20-28(49)4-9-35(50)48(65)66)72-46(42)58-25-55-40-43(51)53-24-54-44(40)58;2*34-38(35,36)26-12-2-1-9-21(26)27-24-17-19-7-3-13-32-15-5-10-22(28(19)32)30(24)37-31-23-11-6-16-33-14-4-8-20(29(23)33)18-25(27)31;1-49(42,43)12-2-6-44-8-10-46-11-9-45-7-5-38-19(14-35-36-38)15-47-24-21(13-18(29)3-4-20(30)28(40)41)48-27(23(24)39)37-17-34-22-25(31)32-16-33-26(22)37;1-48(41,42)36-7-3-10-44-13-15-45-14-12-43-9-2-6-32-8-11-46-24-23(38)21(16-19(29)4-5-20(30)28(39)40)47-27(24)37-18-35-22-25(31)33-17-34-26(22)37/h2-3,5-8,18-19,21-22,24-25,28,35,38,41-42,46,60-61H,1,4,9-17,20,23,49-50H2,(H,52,62)(H,63,64)(H,65,66)(H2,51,53,54);2*1-2,9,12,17-18H,3-8,10-11,13-16H2;14,16-18,20-21,23-24,27,39H,2-13,15,29-30H2,1H3,(H,40,41)(H2,31,32,33);17-21,23-24,27,32,36,38H,2-16,29-30H2,1H3,(H,39,40)(H2,31,33,34)/t28-,35-,38+,41+,42+,46+;;;18-,20-,21+,23+,24+,27+;19-,20-,21+,23+,24+,27+/m0..00/s1.

What are the key properties of 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate)?

4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate) has a molecular weight of 3467.99 g/mol, XLogP of 2.62, 78 rotatable bonds, 20 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[5-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(2S,5S)-2,5-diamino-5-carboxypentyl]-4-hydroxyoxolan-3-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-(3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;(2S,5S)-2,5-diamino-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-[3-[2-[2-[3-(methanesulfonamido)propoxy]ethoxy]ethoxy]propylamino]ethoxy]oxolan-2-yl]hexanoic acid;(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-[2-[2-[2-(3-methylsulfonylpropoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]oxolan-2-yl]hexanoic acid;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)benzenesulfonate) is sourced from PubChem (CID 157286532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).