3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid

C38H68O20 — CID 130193522

About 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid

3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid (PubChem CID 130193522) has the molecular formula C38H68O20 and a molecular weight of 844.94 g/mol. Its IUPAC name is 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid
• PubChem CID: 130193522
• Molecular Formula: C38H68O20
• Molecular Weight: 844.94 g/mol
• Exact Mass: 844.43
• IUPAC Name: 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid
• SMILES: CC(C)OC1C(O)C(CO)OC(COCC2C(C(=O)O)OC(COCC3C(CO)OC(COCC4C(C)OC(CC(C)(C)C)C(O)C4O)C(O)C3O)C(O)C2O)C1O
• InChI: InChI=1S/C38H68O20/c1-16(2)54-36-33(47)23(9-40)57-26(34(36)48)15-53-12-20-29(43)32(46)25(58-35(20)37(49)50)14-52-11-19-22(8-39)56-24(31(45)28(19)42)13-51-10-18-17(3)55-21(7-38(4,5)6)30(44)27(18)41/h16-36,39-48H,7-15H2,1-6H3,(H,49,50)
• InChIKey: JZVQIRDBKMFHRV-UHFFFAOYSA-N
• XLogP: -3.84
• TPSA: 313.44 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	844.94
LogP ≤ 5	-3.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid?

The IUPAC name of 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid (CID 130193522) is 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid?

The canonical SMILES for 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid is CC(C)OC1C(O)C(CO)OC(COCC2C(C(=O)O)OC(COCC3C(CO)OC(COCC4C(C)OC(CC(C)(C)C)C(O)C4O)C(O)C3O)C(O)C2O)C1O.

What is the InChIKey of 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid?

The InChIKey is JZVQIRDBKMFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68O20/c1-16(2)54-36-33(47)23(9-40)57-26(34(36)48)15-53-12-20-29(43)32(46)25(58-35(20)37(49)50)14-52-11-19-22(8-39)56-24(31(45)28(19)42)13-51-10-18-17(3)55-21(7-38(4,5)6)30(44)27(18)41/h16-36,39-48H,7-15H2,1-6H3,(H,49,50).

What are the key properties of 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid?

3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid has a molecular weight of 844.94 g/mol, XLogP of -3.84, 18 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-propan-2-yloxyoxan-2-yl]methoxymethyl]-6-[[6-[[6-(2,2-dimethylpropyl)-4,5-dihydroxy-2-methyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 130193522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).