2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol

C56H104O35 — CID 157207617

About 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol

2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol (PubChem CID 157207617) has the molecular formula C56H104O35 and a molecular weight of 1337.41 g/mol. Its IUPAC name is 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol
• PubChem CID: 157207617
• Molecular Formula: C56H104O35
• Molecular Weight: 1337.41 g/mol
• Exact Mass: 1336.64
• IUPAC Name: 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol
• SMILES: CC(C)(C)CC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O.CC(C)(C)CC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)CC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C23H42O15.C17H32O10.C16H30O10/c1-23(2,3)4-8-12(27)15(30)19(10(6-25)34-8)37-22-18(33)16(31)20(11(7-26)36-22)38-21-17(32)14(29)13(28)9(5-24)35-21;1-17(2,3)4-7-10(19)13(22)12(21)9(26-7)6-25-16-15(24)14(23)11(20)8(5-18)27-16;1-16(2,3)4-6-8(17)10(19)9(18)7(25-6)5-24-15-13(22)11(20)12(21)14(23)26-15/h8-22,24-33H,4-7H2,1-3H3;7-16,18-24H,4-6H2,1-3H3;6-15,17-23H,4-5H2,1-3H3
• InChIKey: ARNJPGRNNZWNPF-UHFFFAOYSA-N
• XLogP: -10.95
• TPSA: 587.05 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.41
LogP ≤ 5	-10.95
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol?

The IUPAC name of 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol (CID 157207617) is 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol.

What is the SMILES notation for 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol?

The canonical SMILES for 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol is CC(C)(C)CC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O.CC(C)(C)CC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC(C)(C)CC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol?

The InChIKey is ARNJPGRNNZWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O15.C17H32O10.C16H30O10/c1-23(2,3)4-8-12(27)15(30)19(10(6-25)34-8)37-22-18(33)16(31)20(11(7-26)36-22)38-21-17(32)14(29)13(28)9(5-24)35-21;1-17(2,3)4-7-10(19)13(22)12(21)9(26-7)6-25-16-15(24)14(23)11(20)8(5-18)27-16;1-16(2,3)4-6-8(17)10(19)9(18)7(25-6)5-24-15-13(22)11(20)12(21)14(23)26-15/h8-22,24-33H,4-7H2,1-3H3;7-16,18-24H,4-6H2,1-3H3;6-15,17-23H,4-5H2,1-3H3.

What are the key properties of 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol?

2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol has a molecular weight of 1337.41 g/mol, XLogP of -10.95, 17 rotatable bonds, 24 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-(2,2-dimethylpropyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol;6-[[6-(2,2-dimethylpropyl)-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 157207617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).