5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol

C26H49NO18 — CID 158594514

About 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol

5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol (PubChem CID 158594514) has the molecular formula C26H49NO18 and a molecular weight of 663.67 g/mol. Its IUPAC name is 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol.

Molecular Properties

• Compound Name: 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol
• PubChem CID: 158594514
• Molecular Formula: C26H49NO18
• Molecular Weight: 663.67 g/mol
• Exact Mass: 663.29
• IUPAC Name: 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol
• SMILES: CC1OC(OC2C(CO)OC(OCC(O)C(O)C(O)CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O.CCO
• InChI: InChI=1S/C24H43NO17.C2H6O/c1-7-13(25-9-2-8(3-26)14(31)18(35)15(9)32)17(34)20(37)24(40-7)42-22-12(5-28)41-23(21(38)19(22)36)39-6-11(30)16(33)10(29)4-27;1-2-3/h2,7,9-38H,3-6H2,1H3;3H,2H2,1H3
• InChIKey: HUVXTAPRTVMBMW-UHFFFAOYSA-N
• XLogP: -8.29
• TPSA: 332.17 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	663.67
LogP ≤ 5	-8.29
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol?

The IUPAC name of 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol (CID 158594514) is 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol.

What is the SMILES notation for 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol?

The canonical SMILES for 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol is CC1OC(OC2C(CO)OC(OCC(O)C(O)C(O)CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O.CCO.

What is the InChIKey of 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol?

The InChIKey is HUVXTAPRTVMBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO17.C2H6O/c1-7-13(25-9-2-8(3-26)14(31)18(35)15(9)32)17(34)20(37)24(40-7)42-22-12(5-28)41-23(21(38)19(22)36)39-6-11(30)16(33)10(29)4-27;1-2-3/h2,7,9-38H,3-6H2,1H3;3H,2H2,1H3.

What are the key properties of 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol?

5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol has a molecular weight of 663.67 g/mol, XLogP of -8.29, 12 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3,4-dihydroxy-6-methyl-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentane-1,2,3,4-tetrol;ethanol is sourced from PubChem (CID 158594514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).