(2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C46H80O32 — CID 118477041

About (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 118477041) has the molecular formula C46H80O32 and a molecular weight of 1145.11 g/mol. Its IUPAC name is (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 118477041
• Molecular Formula: C46H80O32
• Molecular Weight: 1145.11 g/mol
• Exact Mass: 1144.46
• IUPAC Name: (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@H]4OC(CO)[C@@H](O)C(O)[C@H]4O)[C@@H](O)C(O[C@H]4O[C@H](CO)[C@@H](O)C(O)C4O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5O)C(O)[C@@H]4C)[C@H]3O)C(O)[C@@H]2C)C(O)[C@@H]1C
• InChI: InChI=1S/C46H80O32/c1-12-15(4)67-19(8-50)36(23(12)53)74-41-13(2)24(54)38(21(10-52)71-41)76-45-35(65)39(29(59)22(73-45)11-66-43-33(63)30(60)26(56)16(5-47)68-43)77-46-40(32(62)28(58)18(7-49)70-46)78-42-14(3)25(55)37(20(9-51)72-42)75-44-34(64)31(61)27(57)17(6-48)69-44/h12-65H,5-11H2,1-4H3/t12-,13+,14+,15+,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26-,27+,28-,29-,30?,31?,32?,33-,34+,35-,36-,37-,38-,39?,40?,41+,42+,43+,44+,45+,46-/m1/s1
• InChIKey: PZDIAPRNJIEWOR-GSEVYPJQSA-N
• XLogP: -11.38
• TPSA: 504.36 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.11
LogP ≤ 5	-11.38
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 118477041) is (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@@H](O[C@@H]3OC(CO[C@H]4OC(CO)[C@@H](O)C(O)[C@H]4O)[C@@H](O)C(O[C@H]4O[C@H](CO)[C@@H](O)C(O)C4O[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5O)C(O)[C@@H]4C)[C@H]3O)C(O)[C@@H]2C)C(O)[C@@H]1C.

What is the InChIKey of (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is PZDIAPRNJIEWOR-GSEVYPJQSA-N. The full InChI is InChI=1S/C46H80O32/c1-12-15(4)67-19(8-50)36(23(12)53)74-41-13(2)24(54)38(21(10-52)71-41)76-45-35(65)39(29(59)22(73-45)11-66-43-33(63)30(60)26(56)16(5-47)68-43)77-46-40(32(62)28(58)18(7-49)70-46)78-42-14(3)25(55)37(20(9-51)72-42)75-44-34(64)31(61)27(57)17(6-48)69-44/h12-65H,5-11H2,1-4H3/t12-,13+,14+,15+,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26-,27+,28-,29-,30?,31?,32?,33-,34+,35-,36-,37-,38-,39?,40?,41+,42+,43+,44+,45+,46-/m1/s1.

What are the key properties of (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1145.11 g/mol, XLogP of -11.38, 19 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,5S)-2-[[(3R,5R,6S)-4-[(2R,5S,6R)-4,5-dihydroxy-3-[(2S,3S,5S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 118477041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).