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

C42H72O35 — CID 91861178

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

(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 91861178) has the molecular formula C42H72O35 and a molecular weight of 1137.00 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 91861178
• Molecular Formula: C42H72O35
• Molecular Weight: 1137.00 g/mol
• Exact Mass: 1136.39
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)O[C@@H]3CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C42H72O35/c43-1-9-17(48)24(55)30(61)37(69-9)65-6-15-22(53)29(60)36(77-40-33(64)26(57)19(50)11(3-45)71-40)42(74-15)75-34-13(5-47)68-16(23(34)54)8-66-38-31(62)27(58)21(52)14(73-38)7-67-41-35(28(59)20(51)12(4-46)72-41)76-39-32(63)25(56)18(49)10(2-44)70-39/h9-64H,1-8H2/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-,34-,35+,36-,37+,38+,39-,40-,41+,42-/m1/s1
• InChIKey: HVOVCLOKGWPUKG-JUSGMVLNSA-N
• XLogP: -15.59
• TPSA: 565.05 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.00
LogP ≤ 5	-15.59
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 91861178) is (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

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

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

The InChIKey is HVOVCLOKGWPUKG-JUSGMVLNSA-N. The full InChI is InChI=1S/C42H72O35/c43-1-9-17(48)24(55)30(61)37(69-9)65-6-15-22(53)29(60)36(77-40-33(64)26(57)19(50)11(3-45)71-40)42(74-15)75-34-13(5-47)68-16(23(34)54)8-66-38-31(62)27(58)21(52)14(73-38)7-67-41-35(28(59)20(51)12(4-46)72-41)76-39-32(63)25(56)18(49)10(2-44)70-39/h9-64H,1-8H2/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-,34-,35+,36-,37+,38+,39-,40-,41+,42-/m1/s1.

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

(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1137.00 g/mol, XLogP of -15.59, 20 rotatable bonds, 22 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-[[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 91861178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).