(4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid

C86H151N4O71P3 — CID 171122040

About (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid

(4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid (PubChem CID 171122040) has the molecular formula C86H151N4O71P3 and a molecular weight of 2470.03 g/mol. Its IUPAC name is (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid
• PubChem CID: 171122040
• Molecular Formula: C86H151N4O71P3
• Molecular Weight: 2470.03 g/mol
• Exact Mass: 2468.75
• IUPAC Name: (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid
• SMILES: CC(=O)N[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](OC[C@H]6O[C@@H](O[C@H]7[C@H](O[C@H]8O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]8O[C@H]8O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]8O)[C@H](O)[C@@H](O[C@H]8[C@@H]([C@H](O)CO)OC(O)(C(=O)O)C[C@H]8OP(=O)(O)OP(=O)(O)OCCN)O[C@@H]7[C@H](CO)O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)O[C@@H]5[C@H](O)CO)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](C)[C@@H](O)[C@@H]3O)O[C@H](C)[C@@H](O)[C@@H]2NC(C)=O)[C@@H]1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C86H151N4O71P3/c1-20-37(103)35(89-25(6)97)65(150-75-52(118)44(110)39(105)22(3)137-75)80(138-20)151-66-36(90-26(7)98)38(104)21(2)139-81(66)154-71-49(115)41(107)24(5)141-83(71)155-70-48(114)40(106)23(4)140-82(70)152-67-51(117)56(122)74(147-61(67)29(101)15-93)134-19-34-43(109)46(112)54(120)77(144-34)156-72-64(33(18-96)143-76-53(119)45(111)42(108)32(17-95)142-76)149-79(148-63-31(159-164(132,133)161-163(130,131)136-11-9-88)12-86(127,85(125)126)158-62(63)30(102)16-94)58(124)68(72)153-84-73(157-78-55(121)47(113)50(116)59(145-78)27(99)13-91)69(160-162(128,129)135-10-8-87)57(123)60(146-84)28(100)14-92/h20-24,27-84,91-96,99-124,127H,8-19,87-88H2,1-7H3,(H,89,97)(H,90,98)(H,125,126)(H,128,129)(H,130,131)(H,132,133)/t20-,21-,22-,23-,24-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,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-,86?/m1/s1
• InChIKey: XSWRYRXYMVUMGK-WESGFVKWSA-N
• XLogP: -24.12
• TPSA: 1185.47 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 69
• Rotatable Bonds: 49
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.03
LogP ≤ 5	-24.12
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid?

The IUPAC name of (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid (CID 171122040) is (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid?

The canonical SMILES for (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid is CC(=O)N[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](OC[C@H]6O[C@@H](O[C@H]7[C@H](O[C@H]8O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]8O[C@H]8O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]8O)[C@H](O)[C@@H](O[C@H]8[C@@H]([C@H](O)CO)OC(O)(C(=O)O)C[C@H]8OP(=O)(O)OP(=O)(O)OCCN)O[C@@H]7[C@H](CO)O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)O[C@@H]5[C@H](O)CO)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](C)[C@@H](O)[C@@H]3O)O[C@H](C)[C@@H](O)[C@@H]2NC(C)=O)[C@@H]1O[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid?

The InChIKey is XSWRYRXYMVUMGK-WESGFVKWSA-N. The full InChI is InChI=1S/C86H151N4O71P3/c1-20-37(103)35(89-25(6)97)65(150-75-52(118)44(110)39(105)22(3)137-75)80(138-20)151-66-36(90-26(7)98)38(104)21(2)139-81(66)154-71-49(115)41(107)24(5)141-83(71)155-70-48(114)40(106)23(4)140-82(70)152-67-51(117)56(122)74(147-61(67)29(101)15-93)134-19-34-43(109)46(112)54(120)77(144-34)156-72-64(33(18-96)143-76-53(119)45(111)42(108)32(17-95)142-76)149-79(148-63-31(159-164(132,133)161-163(130,131)136-11-9-88)12-86(127,85(125)126)158-62(63)30(102)16-94)58(124)68(72)153-84-73(157-78-55(121)47(113)50(116)59(145-78)27(99)13-91)69(160-162(128,129)135-10-8-87)57(123)60(146-84)28(100)14-92/h20-24,27-84,91-96,99-124,127H,8-19,87-88H2,1-7H3,(H,89,97)(H,90,98)(H,125,126)(H,128,129)(H,130,131)(H,132,133)/t20-,21-,22-,23-,24-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,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-,86?/m1/s1.

What are the key properties of (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid?

(4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid has a molecular weight of 2470.03 g/mol, XLogP of -24.12, 49 rotatable bonds, 41 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4-acetamido-3-[(2S,3R,4S,5S,6R)-4-acetamido-5-hydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-4-[2-aminoethoxy(hydroxy)phosphoryl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-3-hydroxy-6-[(1S)-2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxy-4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 171122040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).