(2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)

C129H168N12O65S5 — CID 164972543

About (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)

(2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) (PubChem CID 164972543) has the molecular formula C129H168N12O65S5 and a molecular weight of 3087.12 g/mol. Its IUPAC name is (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide).

Molecular Properties

• Compound Name: (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)
• PubChem CID: 164972543
• Molecular Formula: C129H168N12O65S5
• Molecular Weight: 3087.12 g/mol
• Exact Mass: 3084.88
• IUPAC Name: (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)
• SMILES: Cc1cc(S(=O)(=O)O)cc2cccc(NC(=O)COCCOCC(=O)NCCCC(=O)C3CC(NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@H](O)C4O)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)C(O[C@@H](CC5CCCCC5)C(=O)O)C4OC(=O)c4cccc(NC(=O)COCCOCCOCCOCC(=O)Nc5cccc(C(=O)OC6C(O[C@@H](CC7CCCCC7)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]6O[C@@H]6CC(C(=O)CCCNC(=O)COCCOCC(=O)Nc7cccc8cc(S(=O)(=O)O)cc(S(=O)(=O)O)c78)CC(NC(=O)c7cc(=O)[nH]c(=O)[nH]7)[C@H]6O[C@@H]6OC(C)[C@@H](O)[C@H](O)C6O)c5)c4)C3)c12.O=S(=O)=O.O=S(=O)=O
• InChI: InChI=1S/C129H168N12O59S3.2O3S/c1-64-42-77(201(172,173)174)47-69-20-12-26-79(102(64)69)134-100(152)62-187-40-38-183-58-96(148)130-30-14-28-85(144)73-49-81(136-118(162)83-54-94(146)140-128(170)138-83)112(199-124-110(160)108(158)104(154)65(2)189-124)87(51-73)193-126-116(114(106(156)91(56-142)195-126)191-89(120(164)165)43-67-16-6-4-7-17-67)197-122(168)71-22-10-24-75(45-71)132-98(150)60-185-36-34-181-32-33-182-35-37-186-61-99(151)133-76-25-11-23-72(46-76)123(169)198-117-115(192-90(121(166)167)44-68-18-8-5-9-19-68)107(157)92(57-143)196-127(117)194-88-52-74(50-82(137-119(163)84-55-95(147)141-129(171)139-84)113(88)200-125-111(161)109(159)105(155)66(3)190-125)86(145)29-15-31-131-97(149)59-184-39-41-188-63-101(153)135-80-27-13-21-70-48-78(202(175,176)177)53-93(103(70)80)203(178,179)180;2*1-4(2)3/h10-13,20-27,42,45-48,53-55,65-68,73-74,81-82,87-92,104-117,124-127,142-143,154-161H,4-9,14-19,28-41,43-44,49-52,56-63H2,1-3H3,(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,162)(H,137,163)(H,164,165)(H,166,167)(H,172,173,174)(H,175,176,177)(H,178,179,180)(H2,138,140,146,170)(H2,139,141,147,171);;/t65?,66?,73?,74?,81?,82?,87-,88-,89+,90+,91+,92+,104-,105-,106+,107+,108+,109+,110?,111?,112-,113-,114?,115?,116?,117?,124+,125+,126-,127-;;/m1../s1
• InChIKey: DIDBCRCJXDSWTC-LBPCPPTJSA-N
• XLogP: -3.86
• TPSA: 1159.55 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 60
• Rotatable Bonds: 72
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3087.12
LogP ≤ 5	-3.86
H-Bond Donors ≤ 5	27
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,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The IUPAC name of (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) (CID 164972543) is (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide).

What is the SMILES notation for (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The canonical SMILES for (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) is Cc1cc(S(=O)(=O)O)cc2cccc(NC(=O)COCCOCC(=O)NCCCC(=O)C3CC(NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@@H](O[C@@H]4OC(C)[C@@H](O)[C@H](O)C4O)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)C(O[C@@H](CC5CCCCC5)C(=O)O)C4OC(=O)c4cccc(NC(=O)COCCOCCOCCOCC(=O)Nc5cccc(C(=O)OC6C(O[C@@H](CC7CCCCC7)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]6O[C@@H]6CC(C(=O)CCCNC(=O)COCCOCC(=O)Nc7cccc8cc(S(=O)(=O)O)cc(S(=O)(=O)O)c78)CC(NC(=O)c7cc(=O)[nH]c(=O)[nH]7)[C@H]6O[C@@H]6OC(C)[C@@H](O)[C@H](O)C6O)c5)c4)C3)c12.O=S(=O)=O.O=S(=O)=O.

What is the InChIKey of (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

The InChIKey is DIDBCRCJXDSWTC-LBPCPPTJSA-N. The full InChI is InChI=1S/C129H168N12O59S3.2O3S/c1-64-42-77(201(172,173)174)47-69-20-12-26-79(102(64)69)134-100(152)62-187-40-38-183-58-96(148)130-30-14-28-85(144)73-49-81(136-118(162)83-54-94(146)140-128(170)138-83)112(199-124-110(160)108(158)104(154)65(2)189-124)87(51-73)193-126-116(114(106(156)91(56-142)195-126)191-89(120(164)165)43-67-16-6-4-7-17-67)197-122(168)71-22-10-24-75(45-71)132-98(150)60-185-36-34-181-32-33-182-35-37-186-61-99(151)133-76-25-11-23-72(46-76)123(169)198-117-115(192-90(121(166)167)44-68-18-8-5-9-19-68)107(157)92(57-143)196-127(117)194-88-52-74(50-82(137-119(163)84-55-95(147)141-129(171)139-84)113(88)200-125-111(161)109(159)105(155)66(3)190-125)86(145)29-15-31-131-97(149)59-184-39-41-188-63-101(153)135-80-27-13-21-70-48-78(202(175,176)177)53-93(103(70)80)203(178,179)180;2*1-4(2)3/h10-13,20-27,42,45-48,53-55,65-68,73-74,81-82,87-92,104-117,124-127,142-143,154-161H,4-9,14-19,28-41,43-44,49-52,56-63H2,1-3H3,(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,153)(H,136,162)(H,137,163)(H,164,165)(H,166,167)(H,172,173,174)(H,175,176,177)(H,178,179,180)(H2,138,140,146,170)(H2,139,141,147,171);;/t65?,66?,73?,74?,81?,82?,87-,88-,89+,90+,91+,92+,104-,105-,106+,107+,108+,109+,110?,111?,112-,113-,114?,115?,116?,117?,124+,125+,126-,127-;;/m1../s1.

What are the key properties of (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide)?

(2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) has a molecular weight of 3087.12 g/mol, XLogP of -3.86, 72 rotatable bonds, 27 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5S,6S)-3-[3-[[2-[2-[2-[2-[2-[3-[(2R,5S,6S)-4-[(1S)-1-carboxy-2-cyclohexylethoxy]-2-[(1R,2R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[4-[[2-[2-[2-[(8-methyl-6-sulfonaphthalen-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]oxycarbonylanilino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]benzoyl]oxy-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-4-yl]oxy-3-cyclohexylpropanoic acid;bis(sulfur trioxide) is sourced from PubChem (CID 164972543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).