(5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C35H59NO26 — CID 158484815

About (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 158484815) has the molecular formula C35H59NO26 and a molecular weight of 909.84 g/mol. Its IUPAC name is (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 158484815
• Molecular Formula: C35H59NO26
• Molecular Weight: 909.84 g/mol
• Exact Mass: 909.33
• IUPAC Name: (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: CNC(=O)C1OC(CO[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@H](O)CC3O)[C@H](O)C2O)C(O[C@@H]2OC(CO)[C@H](O)[C@H](OC3(C(=O)O)CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1O
• InChI: InChI=1S/C35H59NO26/c1-10-13(43)4-35(34(52)53,61-25(10)19(45)14(44)5-37)62-28-20(46)16(7-39)57-33(24(28)50)60-27-18(55-29(23(27)49)30(51)36-2)9-54-32-22(48)21(47)26(17(8-40)58-32)59-31-12(42)3-11(41)15(6-38)56-31/h10-29,31-33,37-50H,3-9H2,1-2H3,(H,36,51)(H,52,53)/t10-,11-,12?,13?,14-,15?,16?,17?,18?,19-,20+,21-,22?,23?,24?,25-,26-,27?,28+,29?,31+,32-,33+,35?/m1/s1
• InChIKey: HHYULHKMDUDWQG-KUGIVNNQSA-N
• XLogP: -9.98
• TPSA: 432.69 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.84
LogP ≤ 5	-9.98
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 158484815) is (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CNC(=O)C1OC(CO[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO)[C@H](O)CC3O)[C@H](O)C2O)C(O[C@@H]2OC(CO)[C@H](O)[C@H](OC3(C(=O)O)CC(O)[C@@H](C)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1O.

What is the InChIKey of (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is HHYULHKMDUDWQG-KUGIVNNQSA-N. The full InChI is InChI=1S/C35H59NO26/c1-10-13(43)4-35(34(52)53,61-25(10)19(45)14(44)5-37)62-28-20(46)16(7-39)57-33(24(28)50)60-27-18(55-29(23(27)49)30(51)36-2)9-54-32-22(48)21(47)26(17(8-40)58-32)59-31-12(42)3-11(41)15(6-38)56-31/h10-29,31-33,37-50H,3-9H2,1-2H3,(H,36,51)(H,52,53)/t10-,11-,12?,13?,14-,15?,16?,17?,18?,19-,20+,21-,22?,23?,24?,25-,26-,27?,28+,29?,31+,32-,33+,35?/m1/s1.

What are the key properties of (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 909.84 g/mol, XLogP of -9.98, 17 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R)-2-[(2S,4S,5S)-2-[2-[[(2R,4R,5S)-5-[(2S,5R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxy-5-(methylcarbamoyl)oxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 158484815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).