(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

C33H59NO24 — CID 25136583

About (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (PubChem CID 25136583) has the molecular formula C33H59NO24 and a molecular weight of 853.82 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• PubChem CID: 25136583
• Molecular Formula: C33H59NO24
• Molecular Weight: 853.82 g/mol
• Exact Mass: 853.34
• IUPAC Name: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• SMILES: CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1N(C)C
• InChI: InChI=1S/C33H59NO24/c1-9-15(37)19(41)23(45)30(52-9)50-7-12-17(39)21(43)25(47)32(55-12)57-27-11(6-36)54-29(49-4)14(34(2)3)28(27)58-33-26(48)22(44)18(40)13(56-33)8-51-31-24(46)20(42)16(38)10(5-35)53-31/h9-33,35-48H,5-8H2,1-4H3/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m0/s1
• InChIKey: AGGIBSOELFUXHJ-BNENNZMZSA-N
• XLogP: -9.67
• TPSA: 378.76 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	853.82
LogP ≤ 5	-9.67
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The IUPAC name of (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol (CID 25136583) is (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1N(C)C.

What is the InChIKey of (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

The InChIKey is AGGIBSOELFUXHJ-BNENNZMZSA-N. The full InChI is InChI=1S/C33H59NO24/c1-9-15(37)19(41)23(45)30(52-9)50-7-12-17(39)21(43)25(47)32(55-12)57-27-11(6-36)54-29(49-4)14(34(2)3)28(27)58-33-26(48)22(44)18(40)13(56-33)8-51-31-24(46)20(42)16(38)10(5-35)53-31/h9-33,35-48H,5-8H2,1-4H3/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31-,32+,33-/m0/s1.

What are the key properties of (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol?

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol has a molecular weight of 853.82 g/mol, XLogP of -9.67, 14 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 25136583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).