(2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

C30H50O24 — CID 91858744

About (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

(2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (PubChem CID 91858744) has the molecular formula C30H50O24 and a molecular weight of 794.71 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
• PubChem CID: 91858744
• Molecular Formula: C30H50O24
• Molecular Weight: 794.71 g/mol
• Exact Mass: 794.27
• IUPAC Name: (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
• SMILES: CO[C@@H]1[C@H](O[C@@H]2CO[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4C(O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](CO)O[C@@H]4O)O[C@@H]3C(=O)O)[C@H](O)[C@H]2O)O[C@@H](C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C30H50O24/c1-6-10(32)13(35)17(39)28(47-6)51-20-8(4-31)49-26(44)22(19(20)41)53-29-18(40)15(37)21(24(54-29)25(42)43)52-27-16(38)12(34)9(5-46-27)50-30-23(45-3)14(36)11(33)7(2)48-30/h6-24,26-41,44H,4-5H2,1-3H3,(H,42,43)/t6-,7-,8+,9+,10-,11+,12-,13+,14+,15+,16+,17+,18+,19?,20+,21-,22-,23-,24-,26-,27-,28-,29-,30-/m0/s1
• InChIKey: VRKONAONOVVDGL-HMKGFYPSSA-N
• XLogP: -8.48
• TPSA: 372.36 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	794.71
LogP ≤ 5	-8.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CID 91858744) is (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid is CO[C@@H]1[C@H](O[C@@H]2CO[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4C(O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](CO)O[C@@H]4O)O[C@@H]3C(=O)O)[C@H](O)[C@H]2O)O[C@@H](C)[C@@H](O)[C@H]1O.

What is the InChIKey of (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid?

The InChIKey is VRKONAONOVVDGL-HMKGFYPSSA-N. The full InChI is InChI=1S/C30H50O24/c1-6-10(32)13(35)17(39)28(47-6)51-20-8(4-31)49-26(44)22(19(20)41)53-29-18(40)15(37)21(24(54-29)25(42)43)52-27-16(38)12(34)9(5-46-27)50-30-23(45-3)14(36)11(33)7(2)48-30/h6-24,26-41,44H,4-5H2,1-3H3,(H,42,43)/t6-,7-,8+,9+,10-,11+,12-,13+,14+,15+,16+,17+,18+,19?,20+,21-,22-,23-,24-,26-,27-,28-,29-,30-/m0/s1.

What are the key properties of (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid?

(2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid has a molecular weight of 794.71 g/mol, XLogP of -8.48, 11 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5R,6S)-6-[(2S,3S,4S,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 91858744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).