(2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)

C157H244N24O72 — CID 167683339

About (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)

(2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide) (PubChem CID 167683339) has the molecular formula C157H244N24O72 and a molecular weight of 3619.77 g/mol. Its IUPAC name is (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide).

Molecular Properties

• Compound Name: (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)
• PubChem CID: 167683339
• Molecular Formula: C157H244N24O72
• Molecular Weight: 3619.77 g/mol
• Exact Mass: 3617.62
• IUPAC Name: (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)
• SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCN)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCCC3CCCCC3)[C@H]2NC(=O)CCOCC(COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2OCCC2CCCCC2)(COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2OCCC2CCCCC2)COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C154H244N24O66.3CO2/c1-68-109(191)117(199)121(203)146(228-68)241-125-80(163-137(211)84-56-101(187)175-150(217)167-84)48-76(133(207)159-36-32-155)52-88(125)233-142-105(129(113(195)93(60-179)237-142)225-44-25-72-17-9-5-10-18-72)171-97(183)28-40-221-64-154(65-222-41-29-98(184)172-106-130(226-45-26-73-19-11-6-12-20-73)114(196)94(61-180)238-143(106)234-89-53-77(134(208)160-37-33-156)49-81(164-138(212)85-57-102(188)176-151(218)168-85)126(89)242-147-122(204)118(200)110(192)69(2)229-147,66-223-42-30-99(185)173-107-131(227-46-27-74-21-13-7-14-22-74)115(197)95(62-181)239-144(107)235-90-54-78(135(209)161-38-34-157)50-82(165-139(213)86-58-103(189)177-152(219)169-86)127(90)243-148-123(205)119(201)111(193)70(3)230-148)67-224-43-31-100(186)174-108-132(232-92(141(215)216)47-75-23-15-8-16-24-75)116(198)96(63-182)240-145(108)236-91-55-79(136(210)162-39-35-158)51-83(166-140(214)87-59-104(190)178-153(220)170-87)128(91)244-149-124(206)120(202)112(194)71(4)231-149;3*2-1-3/h56-59,68-83,88-96,105-132,142-149,179-182,191-206H,5-55,60-67,155-158H2,1-4H3,(H,159,207)(H,160,208)(H,161,209)(H,162,210)(H,163,211)(H,164,212)(H,165,213)(H,166,214)(H,171,183)(H,172,184)(H,173,185)(H,174,186)(H,215,216)(H2,167,175,187,217)(H2,168,176,188,218)(H2,169,177,189,219)(H2,170,178,190,220);;;/t68-,69-,70-,71-,76+,77+,78+,79+,80-,81-,82-,83-,88+,89+,90+,91+,92-,93+,94+,95+,96+,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,117+,118+,119+,120+,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,142+,143+,144+,145+,146-,147-,148-,149-;;;/m0.../s1
• InChIKey: VVWDLWTVDVRSIY-NWNHVBMNSA-N
• XLogP: -17.99
• TPSA: 1482.00 Ų
• H-Bond Donors: 45
• H-Bond Acceptors: 75
• Rotatable Bonds: 81
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3619.77
LogP ≤ 5	-17.99
H-Bond Donors ≤ 5	45
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The IUPAC name of (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide) (CID 167683339) is (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide).

What is the SMILES notation for (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The canonical SMILES for (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide) is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCN)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCCC3CCCCC3)[C@H]2NC(=O)CCOCC(COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2OCCC2CCCCC2)(COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2OCCC2CCCCC2)COCCC(=O)N[C@H]2[C@H](O[C@@H]3C[C@H](C(=O)NCCN)C[C@H](NC(=O)c4cc(=O)[nH]c(=O)[nH]4)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

The InChIKey is VVWDLWTVDVRSIY-NWNHVBMNSA-N. The full InChI is InChI=1S/C154H244N24O66.3CO2/c1-68-109(191)117(199)121(203)146(228-68)241-125-80(163-137(211)84-56-101(187)175-150(217)167-84)48-76(133(207)159-36-32-155)52-88(125)233-142-105(129(113(195)93(60-179)237-142)225-44-25-72-17-9-5-10-18-72)171-97(183)28-40-221-64-154(65-222-41-29-98(184)172-106-130(226-45-26-73-19-11-6-12-20-73)114(196)94(61-180)238-143(106)234-89-53-77(134(208)160-37-33-156)49-81(164-138(212)85-57-102(188)176-151(218)168-85)126(89)242-147-122(204)118(200)110(192)69(2)229-147,66-223-42-30-99(185)173-107-131(227-46-27-74-21-13-7-14-22-74)115(197)95(62-181)239-144(107)235-90-54-78(135(209)161-38-34-157)50-82(165-139(213)86-58-103(189)177-152(219)169-86)127(90)243-148-123(205)119(201)111(193)70(3)230-148)67-224-43-31-100(186)174-108-132(232-92(141(215)216)47-75-23-15-8-16-24-75)116(198)96(63-182)240-145(108)236-91-55-79(136(210)162-39-35-158)51-83(166-140(214)87-59-104(190)178-153(220)170-87)128(91)244-149-124(206)120(202)112(194)71(4)231-149;3*2-1-3/h56-59,68-83,88-96,105-132,142-149,179-182,191-206H,5-55,60-67,155-158H2,1-4H3,(H,159,207)(H,160,208)(H,161,209)(H,162,210)(H,163,211)(H,164,212)(H,165,213)(H,166,214)(H,171,183)(H,172,184)(H,173,185)(H,174,186)(H,215,216)(H2,167,175,187,217)(H2,168,176,188,218)(H2,169,177,189,219)(H2,170,178,190,220);;;/t68-,69-,70-,71-,76+,77+,78+,79+,80-,81-,82-,83-,88+,89+,90+,91+,92-,93+,94+,95+,96+,105+,106+,107+,108+,109+,110+,111+,112+,113-,114-,115-,116-,117+,118+,119+,120+,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,142+,143+,144+,145+,146-,147-,148-,149-;;;/m0.../s1.

What are the key properties of (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide)?

(2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide) has a molecular weight of 3619.77 g/mol, XLogP of -17.99, 81 rotatable bonds, 45 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3-[3-[3-[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[(2R,3R,4R,5R,6R)-2-[(1R,2R,3S,5R)-5-(2-aminoethylcarbamoyl)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-4-(2-cyclohexylethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid;tris(carbon dioxide) is sourced from PubChem (CID 167683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).