(2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane

C193H313N37O89 — CID 172964416

About (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane

(2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane (PubChem CID 172964416) has the molecular formula C193H313N37O89 and a molecular weight of 4575.80 g/mol. Its IUPAC name is (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane.

Molecular Properties

• Compound Name: (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane
• PubChem CID: 172964416
• Molecular Formula: C193H313N37O89
• Molecular Weight: 4575.80 g/mol
• Exact Mass: 4573.11
• IUPAC Name: (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane
• SMILES: C.C.CC(=O)NC1[C@@H](OC(C)C(NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2C(C)=O)C(=O)NC(C)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(C)C(N)=O)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O2)C1O.[H]/N=C(\N)NCCCC(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(C)O)C(=O)N1CCCC1C(=O)NC(C)C
• InChI: InChI=1S/C134H214N26O60.C57H91N11O29.2CH4/c1-15-69(41-59(6)112(135)190)113(191)139-36-21-16-17-22-40-209-158-60(7)27-23-33-87(176)149-73(42-68-28-19-18-20-29-68)116(194)150-71(34-35-89(178)179)115(193)152-74(43-70-47-138-56-142-70)114(192)141-48-88(177)155-91(57(2)3)121(199)157-93(123(201)154-76(49-161)118(196)144-61(8)124(202)159-38-25-32-78(159)120(198)153-75(44-90(180)181)117(195)156-92(62(9)167)122(200)151-72(30-24-37-140-132(136)137)125(203)160-39-26-31-77(160)119(197)143-58(4)5)63(10)210-127-97(148-67(14)171)107(216-129-105(189)111(101(185)84(53-165)212-129)220-134(131(206)207)46-80(173)95(146-65(12)169)109(218-134)99(183)82(175)51-163)102(186)86(214-127)55-208-126-96(147-66(13)170)103(187)106(85(54-166)213-126)215-128-104(188)110(100(184)83(52-164)211-128)219-133(130(204)205)45-79(172)94(145-64(11)168)108(217-133)98(182)81(174)50-162;1-22(47(58)83)60-50(86)30-11-8-14-67(30)53(89)31-12-9-15-68(31)52(88)23(2)61-51(87)37(65-48(84)28(18-69)64-36(78)17-59-49(85)29-10-7-13-66(29)27(6)75)24(3)92-54-39(63-26(5)74)44(41(80)34(20-71)93-54)95-55-43(82)46(42(81)35(21-72)94-55)97-57(56(90)91)16-32(76)38(62-25(4)73)45(96-57)40(79)33(77)19-70;;/h18-20,28-29,47,56-59,61-63,69,71-86,91-111,126-129,161-167,172-175,182-189H,15-17,21-27,30-46,48-55H2,1-14H3,(H2,135,190)(H,138,142)(H,139,191)(H,141,192)(H,143,197)(H,144,196)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,176)(H,150,194)(H,151,200)(H,152,193)(H,153,198)(H,154,201)(H,155,177)(H,156,195)(H,157,199)(H,178,179)(H,180,181)(H,204,205)(H,206,207)(H4,136,137,140);22-24,28-35,37-46,54-55,69-72,76-77,79-82H,7-21H2,1-6H3,(H2,58,83)(H,59,85)(H,60,86)(H,61,87)(H,62,73)(H,63,74)(H,64,78)(H,65,84)(H,90,91);2*1H4/b158-60+;;;/t59?,61?,62?,63?,69?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81-,82-,83+,84+,85+,86+,91?,92?,93?,94-,95-,96?,97?,98-,99-,100+,101+,102+,103?,104?,105?,106-,107?,108-,109-,110?,111?,126-,127+,128+,129+,133+,134+;22?,23?,24?,28?,29?,30?,31?,32-,33-,34?,35?,37?,38-,39?,40-,41+,42+,43?,44-,45?,46+,54+,55+,57+;;/m11../s1
• InChIKey: FENGLYHDXZFKMX-MCOFYEDJSA-N
• XLogP: -29.42
• TPSA: 1937.61 Ų
• H-Bond Donors: 64
• H-Bond Acceptors: 87
• Rotatable Bonds: 116
• Heavy Atoms: 319
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4575.80
LogP ≤ 5	-29.42
H-Bond Donors ≤ 5	64
H-Bond Acceptors ≤ 10	87

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane?

The IUPAC name of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane (CID 172964416) is (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane.

What is the SMILES notation for (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane?

The canonical SMILES for (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane is C.C.CC(=O)NC1[C@@H](OC(C)C(NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2C(C)=O)C(=O)NC(C)C(=O)N2CCCC2C(=O)N2CCCC2C(=O)NC(C)C(N)=O)OC(CO)[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O2)C1O.[H]/N=C(\N)NCCCC(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(C)O)C(=O)N1CCCC1C(=O)NC(C)C.

What is the InChIKey of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane?

The InChIKey is FENGLYHDXZFKMX-MCOFYEDJSA-N. The full InChI is InChI=1S/C134H214N26O60.C57H91N11O29.2CH4/c1-15-69(41-59(6)112(135)190)113(191)139-36-21-16-17-22-40-209-158-60(7)27-23-33-87(176)149-73(42-68-28-19-18-20-29-68)116(194)150-71(34-35-89(178)179)115(193)152-74(43-70-47-138-56-142-70)114(192)141-48-88(177)155-91(57(2)3)121(199)157-93(123(201)154-76(49-161)118(196)144-61(8)124(202)159-38-25-32-78(159)120(198)153-75(44-90(180)181)117(195)156-92(62(9)167)122(200)151-72(30-24-37-140-132(136)137)125(203)160-39-26-31-77(160)119(197)143-58(4)5)63(10)210-127-97(148-67(14)171)107(216-129-105(189)111(101(185)84(53-165)212-129)220-134(131(206)207)46-80(173)95(146-65(12)169)109(218-134)99(183)82(175)51-163)102(186)86(214-127)55-208-126-96(147-66(13)170)103(187)106(85(54-166)213-126)215-128-104(188)110(100(184)83(52-164)211-128)219-133(130(204)205)45-79(172)94(145-64(11)168)108(217-133)98(182)81(174)50-162;1-22(47(58)83)60-50(86)30-11-8-14-67(30)53(89)31-12-9-15-68(31)52(88)23(2)61-51(87)37(65-48(84)28(18-69)64-36(78)17-59-49(85)29-10-7-13-66(29)27(6)75)24(3)92-54-39(63-26(5)74)44(41(80)34(20-71)93-54)95-55-43(82)46(42(81)35(21-72)94-55)97-57(56(90)91)16-32(76)38(62-25(4)73)45(96-57)40(79)33(77)19-70;;/h18-20,28-29,47,56-59,61-63,69,71-86,91-111,126-129,161-167,172-175,182-189H,15-17,21-27,30-46,48-55H2,1-14H3,(H2,135,190)(H,138,142)(H,139,191)(H,141,192)(H,143,197)(H,144,196)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,176)(H,150,194)(H,151,200)(H,152,193)(H,153,198)(H,154,201)(H,155,177)(H,156,195)(H,157,199)(H,178,179)(H,180,181)(H,204,205)(H,206,207)(H4,136,137,140);22-24,28-35,37-46,54-55,69-72,76-77,79-82H,7-21H2,1-6H3,(H2,58,83)(H,59,85)(H,60,86)(H,61,87)(H,62,73)(H,63,74)(H,64,78)(H,65,84)(H,90,91);2*1H4/b158-60+;;;/t59?,61?,62?,63?,69?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81-,82-,83+,84+,85+,86+,91?,92?,93?,94-,95-,96?,97?,98-,99-,100+,101+,102+,103?,104?,105?,106-,107?,108-,109-,110?,111?,126-,127+,128+,129+,133+,134+;22?,23?,24?,28?,29?,30?,31?,32-,33-,34?,35?,37?,38-,39?,40-,41+,42+,43?,44-,45?,46+,54+,55+,57+;;/m11../s1.

What are the key properties of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane?

(2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane has a molecular weight of 4575.80 g/mol, XLogP of -29.42, 116 rotatable bonds, 64 hydrogen bond donors, and 87 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[3-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-[[1-[[1-[2-[[1-[[1-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2S,4R,5R)-5-acetamido-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[3-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[1-[2-[2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;methane is sourced from PubChem (CID 172964416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).