[(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate

C66H110N4O47 — CID 58567132

About [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate

[(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate (PubChem CID 58567132) has the molecular formula C66H110N4O47 and a molecular weight of 1711.59 g/mol. Its IUPAC name is [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
• PubChem CID: 58567132
• Molecular Formula: C66H110N4O47
• Molecular Weight: 1711.59 g/mol
• Exact Mass: 1710.63
• IUPAC Name: [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-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@@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H](CO)O[C@@H]1OC1[C@H](OC2O[C@@H](O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](C)C(NC(C)=O)[C@H]4O)C(NC(C)=O)[C@H]3O)C(O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)C3O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3NC(C)=O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C66H110N4O47/c1-17-23(83)7-66(101-16-78,117-51(17)36(85)24(84)8-71)100-15-31-40(89)45(94)48(97)61(108-31)110-53-29(13-76)107-60(35(44(53)93)70-22(6)82)114-57-47(96)39(88)27(11-74)105-65(57)116-63-50(99)55(112-64-56(46(95)38(87)26(10-73)104-64)113-58-33(68-20(4)80)41(90)37(86)25(9-72)103-58)49(98)62(115-63)111-54-30(14-77)106-59(34(43(54)92)69-21(5)81)109-52-28(12-75)102-18(2)32(42(52)91)67-19(3)79/h16-18,23-65,71-77,83-99H,7-15H2,1-6H3,(H,67,79)(H,68,80)(H,69,81)(H,70,82)/t17-,18+,23+,24+,25?,26-,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+/m1/s1
• InChIKey: NCZBSVKEIDFNFE-HZNVVSIMSA-N
• XLogP: -18.50
• TPSA: 785.13 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 47
• Rotatable Bonds: 32
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.59
LogP ≤ 5	-18.50
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	47

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,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate?

The IUPAC name of [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate (CID 58567132) is [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate.

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

The canonical SMILES for [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-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@@H](O)CO)O3)[C@H](O)[C@H](O)C2O)[C@@H](CO)O[C@@H]1OC1[C@H](OC2O[C@@H](O[C@H]3C(CO)O[C@@H](O[C@H]4C(CO)O[C@@H](C)C(NC(C)=O)[C@H]4O)C(NC(C)=O)[C@H]3O)C(O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)C3O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3NC(C)=O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O.

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

The InChIKey is NCZBSVKEIDFNFE-HZNVVSIMSA-N. The full InChI is InChI=1S/C66H110N4O47/c1-17-23(83)7-66(101-16-78,117-51(17)36(85)24(84)8-71)100-15-31-40(89)45(94)48(97)61(108-31)110-53-29(13-76)107-60(35(44(53)93)70-22(6)82)114-57-47(96)39(88)27(11-74)105-65(57)116-63-50(99)55(112-64-56(46(95)38(87)26(10-73)104-64)113-58-33(68-20(4)80)41(90)37(86)25(9-72)103-58)49(98)62(115-63)111-54-30(14-77)106-59(34(43(54)92)69-21(5)81)109-52-28(12-75)102-18(2)32(42(52)91)67-19(3)79/h16-18,23-65,71-77,83-99H,7-15H2,1-6H3,(H,67,79)(H,68,80)(H,69,81)(H,70,82)/t17-,18+,23+,24+,25?,26-,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+/m1/s1.

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

[(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate has a molecular weight of 1711.59 g/mol, XLogP of -18.50, 32 rotatable bonds, 28 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate is sourced from PubChem (CID 58567132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).