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

C35H60O30 — CID 91855461

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

(2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 91855461) has the molecular formula C35H60O30 and a molecular weight of 960.83 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 91855461
• Molecular Formula: C35H60O30
• Molecular Weight: 960.83 g/mol
• Exact Mass: 960.32
• IUPAC Name: (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C35H60O30/c36-1-8-14(41)19(46)24(51)31(59-8)57-6-12-16(43)20(47)25(52)34(62-12)64-28-17(44)9(2-37)60-35(29(28)65-33-23(50)13(40)7(39)4-55-33)63-27-10(3-38)61-32(26(53)21(27)48)56-5-11-15(42)18(45)22(49)30(54)58-11/h7-54H,1-6H2/t7-,8-,9-,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-/m1/s1
• InChIKey: RFURQDNRHCIQIR-VPUSZYDCSA-N
• XLogP: -13.46
• TPSA: 485.90 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.83
LogP ≤ 5	-13.46
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 91855461) is (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

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

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

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

The InChIKey is RFURQDNRHCIQIR-VPUSZYDCSA-N. The full InChI is InChI=1S/C35H60O30/c36-1-8-14(41)19(46)24(51)31(59-8)57-6-12-16(43)20(47)25(52)34(62-12)64-28-17(44)9(2-37)60-35(29(28)65-33-23(50)13(40)7(39)4-55-33)63-27-10(3-38)61-32(26(53)21(27)48)56-5-11-15(42)18(45)22(49)30(54)58-11/h7-54H,1-6H2/t7-,8-,9-,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-/m1/s1.

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

(2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 960.83 g/mol, XLogP of -13.46, 15 rotatable bonds, 19 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S,6R)-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).