[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate

C133H217BrN6O94 — CID 159576159

About [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate

[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate (PubChem CID 159576159) has the molecular formula C133H217BrN6O94 and a molecular weight of 3484.05 g/mol. Its IUPAC name is [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate.

Molecular Properties

• Compound Name: [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
• PubChem CID: 159576159
• Molecular Formula: C133H217BrN6O94
• Molecular Weight: 3484.05 g/mol
• Exact Mass: 3481.16
• IUPAC Name: [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
• SMILES: CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)C2O)[C@H](CO)O[C@H]1OC1[C@@H](O)[C@H](O)C(CO[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)O[C@@H]1COC1O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](CC(=O)CBr)C(NC(C)=O)[C@H]3O)C(NC(C)=O)[C@H]2O)C(O)[C@@H](O[C@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)C(O)C2O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)[C@@H]1O
• InChI: InChI=1S/C133H217BrN6O94/c1-38-49(163)12-130(204-34-152,231-104(38)77(171)53(167)17-141)200-30-66-81(175)92(186)97(191)124(216-66)223-109-59(22-146)210-118(72(87(109)181)136-43(6)157)198-28-65-85(179)96(190)115(222-121-75(139-46(9)160)89(183)111(61(24-148)213-121)225-126-99(193)94(188)83(177)68(218-126)32-202-132(206-36-154)14-51(165)40(3)106(233-132)79(173)55(169)19-143)70(209-65)29-199-123-102(196)116(103(197)128(230-123)227-113-63(26-150)211-119(73(90(113)184)137-44(7)158)220-108-58(21-145)208-57(11-48(162)16-134)71(86(108)180)135-42(5)156)228-129-117(229-122-76(140-47(10)161)91(185)112(62(25-149)214-122)226-127-100(194)95(189)84(178)69(219-127)33-203-133(207-37-155)15-52(166)41(4)107(234-133)80(174)56(170)20-144)101(195)114(64(27-151)215-129)221-120-74(138-45(8)159)88(182)110(60(23-147)212-120)224-125-98(192)93(187)82(176)67(217-125)31-201-131(205-35-153)13-50(164)39(2)105(232-131)78(172)54(168)18-142/h34-41,49-129,141-151,163-197H,11-33H2,1-10H3,(H,135,156)(H,136,157)(H,137,158)(H,138,159)(H,139,160)(H,140,161)/t38-,39-,40-,41-,49-,50-,51-,52-,53?,54?,55?,56?,57+,58?,59?,60?,61+,62?,63?,64?,65?,66?,67?,68?,69?,70-,71?,72?,73?,74?,75?,76?,77-,78-,79-,80-,81+,82+,83+,84+,85-,86-,87-,88-,89?,90-,91-,92+,93+,94?,95+,96+,97?,98?,99?,100?,101?,102+,103?,104?,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+,133+/m1/s1
• InChIKey: WFBFCKFBSHHXIY-LZUDHPBKSA-N
• XLogP: -33.66
• TPSA: 1532.04 Ų
• H-Bond Donors: 52
• H-Bond Acceptors: 94
• Rotatable Bonds: 74
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3484.05
LogP ≤ 5	-33.66
H-Bond Donors ≤ 5	52
H-Bond Acceptors ≤ 10	94

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate?

The IUPAC name of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate (CID 159576159) is [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate.

What is the SMILES notation for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate?

The canonical SMILES for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate is CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O3)[C@H](O)C(O)C2O)[C@H](CO)O[C@H]1OC1[C@@H](O)[C@H](O)C(CO[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)O[C@@H]1COC1O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](CC(=O)CBr)C(NC(C)=O)[C@H]3O)C(NC(C)=O)[C@H]2O)C(O)[C@@H](O[C@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)C(O)C2O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@]4(OC=O)C[C@@H](O)[C@@H](C)C([C@H](O)C(O)CO)O4)[C@H](O)[C@H](O)C3O)[C@H](O)C2NC(C)=O)[C@@H]1O.

What is the InChIKey of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate?

The InChIKey is WFBFCKFBSHHXIY-LZUDHPBKSA-N. The full InChI is InChI=1S/C133H217BrN6O94/c1-38-49(163)12-130(204-34-152,231-104(38)77(171)53(167)17-141)200-30-66-81(175)92(186)97(191)124(216-66)223-109-59(22-146)210-118(72(87(109)181)136-43(6)157)198-28-65-85(179)96(190)115(222-121-75(139-46(9)160)89(183)111(61(24-148)213-121)225-126-99(193)94(188)83(177)68(218-126)32-202-132(206-36-154)14-51(165)40(3)106(233-132)79(173)55(169)19-143)70(209-65)29-199-123-102(196)116(103(197)128(230-123)227-113-63(26-150)211-119(73(90(113)184)137-44(7)158)220-108-58(21-145)208-57(11-48(162)16-134)71(86(108)180)135-42(5)156)228-129-117(229-122-76(140-47(10)161)91(185)112(62(25-149)214-122)226-127-100(194)95(189)84(178)69(219-127)33-203-133(207-37-155)15-52(166)41(4)107(234-133)80(174)56(170)20-144)101(195)114(64(27-151)215-129)221-120-74(138-45(8)159)88(182)110(60(23-147)212-120)224-125-98(192)93(187)82(176)67(217-125)31-201-131(205-35-153)13-50(164)39(2)105(232-131)78(172)54(168)18-142/h34-41,49-129,141-151,163-197H,11-33H2,1-10H3,(H,135,156)(H,136,157)(H,137,158)(H,138,159)(H,139,160)(H,140,161)/t38-,39-,40-,41-,49-,50-,51-,52-,53?,54?,55?,56?,57+,58?,59?,60?,61+,62?,63?,64?,65?,66?,67?,68?,69?,70-,71?,72?,73?,74?,75?,76?,77-,78-,79-,80-,81+,82+,83+,84+,85-,86-,87-,88-,89?,90-,91-,92+,93+,94?,95+,96+,97?,98?,99?,100?,101?,102+,103?,104?,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+,133+/m1/s1.

What are the key properties of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate?

[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate has a molecular weight of 3484.05 g/mol, XLogP of -33.66, 74 rotatable bonds, 52 hydrogen bond donors, and 94 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6R)-5-acetamido-6-[[(3S,4S,6R)-6-[[(3S,4S,6R)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-6-(3-bromo-2-oxopropyl)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3,5-bis[[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-5-[(2S,5S,6S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate is sourced from PubChem (CID 159576159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).