(2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid

C141H210N12O69S4 — CID 165044398

About (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid

(2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid (PubChem CID 165044398) has the molecular formula C141H210N12O69S4 and a molecular weight of 3305.51 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid.

Molecular Properties

• Compound Name: (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid
• PubChem CID: 165044398
• Molecular Formula: C141H210N12O69S4
• Molecular Weight: 3305.51 g/mol
• Exact Mass: 3303.22
• IUPAC Name: (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid
• 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(OCCC3CCCCC3)C2NC(=O)CCC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=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
• InChI: InChI=1S/C141H210N12O69S4/c1-82-121(168)125(172)127(174)138(214-82)221-129-98(146-133(176)100-71-111(161)152-140(180)148-100)66-89(102(158)18-10-25-142-114(164)78-210-57-56-208-77-92(157)61-87-64-94(224(185,186)187)65-88-63-93(223(182,183)184)21-22-96(87)88)68-104(129)217-136-119(131(123(170)107(74-154)219-136)213-27-24-84-12-5-3-6-13-84)150-110(160)23-20-91(156)76-207-54-52-205-50-48-203-46-44-201-42-40-199-38-36-197-34-32-195-30-28-194-29-31-196-33-35-198-37-39-200-41-43-202-45-47-204-49-51-206-53-55-209-80-116(166)144-73-113(163)151-120-132(216-106(135(178)179)60-85-14-7-4-8-15-85)124(171)108(75-155)220-137(120)218-105-69-90(67-99(147-134(177)101-72-112(162)153-141(181)149-101)130(105)222-139-128(175)126(173)122(169)83(2)215-139)103(159)19-11-26-143-115(165)79-211-58-59-212-81-117(167)145-97-17-9-16-86-62-95(225(188,189)190)70-109(118(86)97)226(191,192)193/h9,16-17,21-22,62-65,70-72,82-85,89-90,98-99,104-108,119-132,136-139,154-155,168-175H,3-8,10-15,18-20,23-61,66-69,73-81H2,1-2H3,(H,142,164)(H,143,165)(H,144,166)(H,145,167)(H,146,176)(H,147,177)(H,150,160)(H,151,163)(H,178,179)(H,182,183,184)(H,185,186,187)(H,188,189,190)(H,191,192,193)(H2,148,152,161,180)(H2,149,153,162,181)/t82?,83?,89?,90?,98?,99?,104-,105-,106+,107+,108+,119?,120?,121-,122-,123+,124+,125+,126+,127?,128?,129-,130-,131?,132?,136-,137-,138+,139+/m1/s1
• InChIKey: BZYYVQBVSORCHM-GTHWMYPGSA-N
• XLogP: -5.90
• TPSA: 1157.27 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 64
• Rotatable Bonds: 107
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3305.51
LogP ≤ 5	-5.90
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	64

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)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid?

The IUPAC name of (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid (CID 165044398) is (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid.

What is the SMILES notation for (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid?

The canonical SMILES for (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid 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(OCCC3CCCCC3)C2NC(=O)CCC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=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.

What is the InChIKey of (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid?

The InChIKey is BZYYVQBVSORCHM-GTHWMYPGSA-N. The full InChI is InChI=1S/C141H210N12O69S4/c1-82-121(168)125(172)127(174)138(214-82)221-129-98(146-133(176)100-71-111(161)152-140(180)148-100)66-89(102(158)18-10-25-142-114(164)78-210-57-56-208-77-92(157)61-87-64-94(224(185,186)187)65-88-63-93(223(182,183)184)21-22-96(87)88)68-104(129)217-136-119(131(123(170)107(74-154)219-136)213-27-24-84-12-5-3-6-13-84)150-110(160)23-20-91(156)76-207-54-52-205-50-48-203-46-44-201-42-40-199-38-36-197-34-32-195-30-28-194-29-31-196-33-35-198-37-39-200-41-43-202-45-47-204-49-51-206-53-55-209-80-116(166)144-73-113(163)151-120-132(216-106(135(178)179)60-85-14-7-4-8-15-85)124(171)108(75-155)220-137(120)218-105-69-90(67-99(147-134(177)101-72-112(162)153-141(181)149-101)130(105)222-139-128(175)126(173)122(169)83(2)215-139)103(159)19-11-26-143-115(165)79-211-58-59-212-81-117(167)145-97-17-9-16-86-62-95(225(188,189)190)70-109(118(86)97)226(191,192)193/h9,16-17,21-22,62-65,70-72,82-85,89-90,98-99,104-108,119-132,136-139,154-155,168-175H,3-8,10-15,18-20,23-61,66-69,73-81H2,1-2H3,(H,142,164)(H,143,165)(H,144,166)(H,145,167)(H,146,176)(H,147,177)(H,150,160)(H,151,163)(H,178,179)(H,182,183,184)(H,185,186,187)(H,188,189,190)(H,191,192,193)(H2,148,152,161,180)(H2,149,153,162,181)/t82?,83?,89?,90?,98?,99?,104-,105-,106+,107+,108+,119?,120?,121-,122-,123+,124+,125+,126+,127?,128?,129-,130-,131?,132?,136-,137-,138+,139+/m1/s1.

What are the key properties of (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid?

(2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid has a molecular weight of 3305.51 g/mol, XLogP of -5.90, 107 rotatable bonds, 27 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-cyclohexyl-2-[(2R,5R,6S)-3-[[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[[(2R,5R,6S)-4-(2-cyclohexylethoxy)-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-3-yl]amino]-2,5-dioxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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]oxypropanoic acid is sourced from PubChem (CID 165044398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).