(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)

C120H166N12O66S6 — CID 164952821

About (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)

(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) (PubChem CID 164952821) has the molecular formula C120H166N12O66S6 and a molecular weight of 3025.07 g/mol. Its IUPAC name is (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide).

Molecular Properties

• Compound Name: (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)
• PubChem CID: 164952821
• Molecular Formula: C120H166N12O66S6
• Molecular Weight: 3025.07 g/mol
• Exact Mass: 3022.83
• IUPAC Name: (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)
• SMILES: CC1O[C@@H](O[C@@H]2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CC(C(=O)CCCNC(=O)COCCOCC(=O)Cc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)C[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CCC(=O)COCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CC(C(=O)CCCNC(=O)COCCOCC(=O)Nc3cccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)CC(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C120H166N12O60S4.2O3S/c1-59-99(147)103(151)105(153)117(183-59)191-107-75(125-111(155)77-48-89(140)131-119(161)127-77)43-66(79(137)18-10-24-121-92(143)55-180-33-32-178-54-69(136)38-64-41-71(194(166,167)168)42-65-40-70(193(163,164)165)21-22-73(64)65)45-81(107)187-115-97(109(101(149)85(51-133)189-115)185-83(113(157)158)36-61-12-5-3-6-13-61)129-88(139)23-20-68(135)53-177-30-28-175-26-27-176-29-31-179-57-94(145)123-50-91(142)130-98-110(186-84(114(159)160)37-62-14-7-4-8-15-62)102(150)86(52-134)190-116(98)188-82-46-67(44-76(126-112(156)78-49-90(141)132-120(162)128-78)108(82)192-118-106(154)104(152)100(148)60(2)184-118)80(138)19-11-25-122-93(144)56-181-34-35-182-58-95(146)124-74-17-9-16-63-39-72(195(169,170)171)47-87(96(63)74)196(172,173)174;2*1-4(2)3/h9,16-17,21-22,39-42,47-49,59-62,66-67,75-76,81-86,97-110,115-118,133-134,147-154H,3-8,10-15,18-20,23-38,43-46,50-58H2,1-2H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,155)(H,126,156)(H,129,139)(H,130,142)(H,157,158)(H,159,160)(H,163,164,165)(H,166,167,168)(H,169,170,171)(H,172,173,174)(H2,127,131,140,161)(H2,128,132,141,162);;/t59?,60?,66?,67?,75?,76?,81-,82-,83+,84+,85+,86+,97?,98?,99-,100-,101+,102+,103+,104+,105?,106?,107-,108-,109?,110?,115-,116-,117+,118+;;/m1../s1
• InChIKey: ATPIWHYJJKYCSB-CYKIYKQGSA-N
• XLogP: -8.64
• TPSA: 1195.46 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 60
• Rotatable Bonds: 75
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3025.07
LogP ≤ 5	-8.64
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The IUPAC name of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) (CID 164952821) is (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide).

What is the SMILES notation for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The canonical SMILES for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) is CC1O[C@@H](O[C@@H]2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CC(C(=O)CCCNC(=O)COCCOCC(=O)Cc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)C[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)CCC(=O)COCCOCCOCCOCC(=O)NCC(=O)NC2C(O[C@@H](CC3CCCCC3)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]2O[C@@H]2CC(C(=O)CCCNC(=O)COCCOCC(=O)Nc3cccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)CC(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)[C@H]2O[C@@H]2OC(C)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The InChIKey is ATPIWHYJJKYCSB-CYKIYKQGSA-N. The full InChI is InChI=1S/C120H166N12O60S4.2O3S/c1-59-99(147)103(151)105(153)117(183-59)191-107-75(125-111(155)77-48-89(140)131-119(161)127-77)43-66(79(137)18-10-24-121-92(143)55-180-33-32-178-54-69(136)38-64-41-71(194(166,167)168)42-65-40-70(193(163,164)165)21-22-73(64)65)45-81(107)187-115-97(109(101(149)85(51-133)189-115)185-83(113(157)158)36-61-12-5-3-6-13-61)129-88(139)23-20-68(135)53-177-30-28-175-26-27-176-29-31-179-57-94(145)123-50-91(142)130-98-110(186-84(114(159)160)37-62-14-7-4-8-15-62)102(150)86(52-134)190-116(98)188-82-46-67(44-76(126-112(156)78-49-90(141)132-120(162)128-78)108(82)192-118-106(154)104(152)100(148)60(2)184-118)80(138)19-11-25-122-93(144)56-181-34-35-182-58-95(146)124-74-17-9-16-63-39-72(195(169,170)171)47-87(96(63)74)196(172,173)174;2*1-4(2)3/h9,16-17,21-22,39-42,47-49,59-62,66-67,75-76,81-86,97-110,115-118,133-134,147-154H,3-8,10-15,18-20,23-38,43-46,50-58H2,1-2H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,155)(H,126,156)(H,129,139)(H,130,142)(H,157,158)(H,159,160)(H,163,164,165)(H,166,167,168)(H,169,170,171)(H,172,173,174)(H2,127,131,140,161)(H2,128,132,141,162);;/t59?,60?,66?,67?,75?,76?,81-,82-,83+,84+,85+,86+,97?,98?,99-,100-,101+,102+,103+,104+,105?,106?,107-,108-,109?,110?,115-,116-,117+,118+;;/m1../s1.

What are the key properties of (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

(2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) has a molecular weight of 3025.07 g/mol, XLogP of -8.64, 75 rotatable bonds, 28 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5R,6S)-3-[[5-[2-[2-[2-[2-[[2-[[(2R,5R,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(6,8-disulfonaphthalen-1-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-4-oxopentanoyl]amino]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[3-(3,6-disulfonaphthalen-1-yl)-2-oxopropoxy]ethoxy]acetyl]amino]butanoyl]-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) is sourced from PubChem (CID 164952821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).