(2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid

C28H46O24 — CID 59520608

About (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid

(2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 59520608) has the molecular formula C28H46O24 and a molecular weight of 766.65 g/mol. Its IUPAC name is (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
• PubChem CID: 59520608
• Molecular Formula: C28H46O24
• Molecular Weight: 766.65 g/mol
• Exact Mass: 766.24
• IUPAC Name: (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid
• SMILES: CC(=O)OC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(O)[C@H](O[C@H]4C([C@@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]4O)OC(CO)[C@@H]3O)C(O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C28H46O24/c1-7(33)45-23-15(38)13(36)10(4-30)47-26(23)50-21-12(6-32)48-24(17(40)16(21)39)51-22-14(37)11(5-31)46-25(18(22)41)49-19-8(34)2-28(44,27(42)43)52-20(19)9(35)3-29/h8-26,29-32,34-41,44H,2-6H2,1H3,(H,42,43)/t8-,9+,10?,11?,12?,13+,14+,15+,16-,17?,18?,19-,20?,21+,22+,23?,24+,25+,26+,28-/m1/s1
• InChIKey: OEQWUWFHTIHHRU-MMMZNETCSA-N
• XLogP: -9.33
• TPSA: 391.20 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.65
LogP ≤ 5	-9.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid (CID 59520608) is (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid is CC(=O)OC1[C@H](O[C@H]2C(CO)O[C@@H](O[C@@H]3C(O)[C@H](O[C@H]4C([C@@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]4O)OC(CO)[C@@H]3O)C(O)[C@H]2O)OC(CO)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid?

The InChIKey is OEQWUWFHTIHHRU-MMMZNETCSA-N. The full InChI is InChI=1S/C28H46O24/c1-7(33)45-23-15(38)13(36)10(4-30)47-26(23)50-21-12(6-32)48-24(17(40)16(21)39)51-22-14(37)11(5-31)46-25(18(22)41)49-19-8(34)2-28(44,27(42)43)52-20(19)9(35)3-29/h8-26,29-32,34-41,44H,2-6H2,1H3,(H,42,43)/t8-,9+,10?,11?,12?,13+,14+,15+,16-,17?,18?,19-,20?,21+,22+,23?,24+,25+,26+,28-/m1/s1.

What are the key properties of (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid?

(2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 766.65 g/mol, XLogP of -9.33, 13 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R)-5-[(2S,4S,5S)-4-[(2S,4R,5R)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 59520608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).