[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol

C74H131N3O52 — CID 160737815

About [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol

[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (PubChem CID 160737815) has the molecular formula C74H131N3O52 and a molecular weight of 1894.83 g/mol. Its IUPAC name is [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
• PubChem CID: 160737815
• Molecular Formula: C74H131N3O52
• Molecular Weight: 1894.83 g/mol
• Exact Mass: 1893.77
• IUPAC Name: [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
• SMILES: CC(=O)NC1C(O)[C@H](O)[C@H](CO)O[C@H]1OC1C(O)[C@H](O)C(CO)O[C@@H]1C.CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](CO)O[C@H]1OC1C(O)[C@H](O)C(CO)O[C@@H]1C.CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(OC=O)C[C@@H](O)[C@@H](C)C(C(O)C(O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H](CO)O[C@H]1OC1[C@@H](O)[C@H](O)C(CO)O[C@@H]1C.C[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C31H53NO22.C21H37NO15.C15H27NO10.C7H14O5/c1-10-13(38)4-31(48-9-36,54-26(10)19(40)14(39)5-33)47-8-17-21(42)23(44)25(46)30(51-17)53-28-16(7-35)50-29(18(22(28)43)32-12(3)37)52-27-11(2)49-15(6-34)20(41)24(27)45;1-6-18(16(31)13(28)8(3-23)33-6)36-20-11(22-7(2)26)14(29)19(10(5-25)35-20)37-21-17(32)15(30)12(27)9(4-24)34-21;1-5-14(13(23)11(21)7(3-17)24-5)26-15-9(16-6(2)19)12(22)10(20)8(4-18)25-15;1-3-5(9)7(11)6(10)4(2-8)12-3/h9-11,13-30,33-35,38-46H,4-8H2,1-3H3,(H,32,37);6,8-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26);5,7-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19);3-11H,2H2,1H3/t10-,11-,13-,14?,15?,16+,17?,18?,19?,20-,21+,22?,23+,24+,25?,26?,27?,28-,29+,30+,31+;6-,8?,9?,10+,11?,12+,13-,14?,15+,16?,17?,18?,19-,20+,21+;5-,7?,8+,9?,10-,11-,12?,13?,14?,15+;3-,4?,5?,6-,7-/m1111/s1
• InChIKey: RVEJYYFGZZXXIX-ZEEPLHKISA-N
• XLogP: -20.70
• TPSA: 888.41 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 52
• Rotatable Bonds: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.83
LogP ≤ 5	-20.70
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The IUPAC name of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol (CID 160737815) is [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol.

What is the SMILES notation for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The canonical SMILES for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is CC(=O)NC1C(O)[C@H](O)[C@H](CO)O[C@H]1OC1C(O)[C@H](O)C(CO)O[C@@H]1C.CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](CO)O[C@H]1OC1C(O)[C@H](O)C(CO)O[C@@H]1C.CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(OC=O)C[C@@H](O)[C@@H](C)C(C(O)C(O)CO)O3)[C@H](O)[C@H](O)C2O)[C@H](CO)O[C@H]1OC1[C@@H](O)[C@H](O)C(CO)O[C@@H]1C.C[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

The InChIKey is RVEJYYFGZZXXIX-ZEEPLHKISA-N. The full InChI is InChI=1S/C31H53NO22.C21H37NO15.C15H27NO10.C7H14O5/c1-10-13(38)4-31(48-9-36,54-26(10)19(40)14(39)5-33)47-8-17-21(42)23(44)25(46)30(51-17)53-28-16(7-35)50-29(18(22(28)43)32-12(3)37)52-27-11(2)49-15(6-34)20(41)24(27)45;1-6-18(16(31)13(28)8(3-23)33-6)36-20-11(22-7(2)26)14(29)19(10(5-25)35-20)37-21-17(32)15(30)12(27)9(4-24)34-21;1-5-14(13(23)11(21)7(3-17)24-5)26-15-9(16-6(2)19)12(22)10(20)8(4-18)25-15;1-3-5(9)7(11)6(10)4(2-8)12-3/h9-11,13-30,33-35,38-46H,4-8H2,1-3H3,(H,32,37);6,8-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26);5,7-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19);3-11H,2H2,1H3/t10-,11-,13-,14?,15?,16+,17?,18?,19?,20-,21+,22?,23+,24+,25?,26?,27?,28-,29+,30+,31+;6-,8?,9?,10+,11?,12+,13-,14?,15+,16?,17?,18?,19-,20+,21+;5-,7?,8+,9?,10-,11-,12?,13?,14?,15+;3-,4?,5?,6-,7-/m1111/s1.

What are the key properties of [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol?

[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol has a molecular weight of 1894.83 g/mol, XLogP of -20.70, 29 rotatable bonds, 34 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 160737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).