N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide

C31H58N2O19 — CID 144823202

About N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide

N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide (PubChem CID 144823202) has the molecular formula C31H58N2O19 and a molecular weight of 762.80 g/mol. Its IUPAC name is N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide
• PubChem CID: 144823202
• Molecular Formula: C31H58N2O19
• Molecular Weight: 762.80 g/mol
• Exact Mass: 762.36
• IUPAC Name: N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide
• SMILES: CC(=O)NCCO.CCCCCCC(=O)NCCO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](O)C(O)C2O)[C@@H](O)C(O[C@H]2OC(CO)[C@@H](O)C(O)C2O)C1O
• InChI: InChI=1S/C27H49NO17.C4H9NO2/c1-2-3-4-5-6-15(31)28-7-8-40-26-23(39)24(45-27-22(38)20(36)17(33)13(10-30)43-27)18(34)14(44-26)11-41-25-21(37)19(35)16(32)12(9-29)42-25;1-4(7)5-2-3-6/h12-14,16-27,29-30,32-39H,2-11H2,1H3,(H,28,31);6H,2-3H2,1H3,(H,5,7)/t12?,13?,14?,16-,17-,18-,19?,20?,21?,22?,23?,24?,25+,26+,27-;/m1./s1
• InChIKey: ULUNZOSEMOHVJY-VFJDZQBWSA-N
• XLogP: -6.35
• TPSA: 336.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	762.80
LogP ≤ 5	-6.35
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide (CID 144823202) is N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide is CC(=O)NCCO.CCCCCCC(=O)NCCO[C@H]1OC(CO[C@H]2OC(CO)[C@@H](O)C(O)C2O)[C@@H](O)C(O[C@H]2OC(CO)[C@@H](O)C(O)C2O)C1O.

What is the InChIKey of N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide?

The InChIKey is ULUNZOSEMOHVJY-VFJDZQBWSA-N. The full InChI is InChI=1S/C27H49NO17.C4H9NO2/c1-2-3-4-5-6-15(31)28-7-8-40-26-23(39)24(45-27-22(38)20(36)17(33)13(10-30)43-27)18(34)14(44-26)11-41-25-21(37)19(35)16(32)12(9-29)42-25;1-4(7)5-2-3-6/h12-14,16-27,29-30,32-39H,2-11H2,1H3,(H,28,31);6H,2-3H2,1H3,(H,5,7)/t12?,13?,14?,16-,17-,18-,19?,20?,21?,22?,23?,24?,25+,26+,27-;/m1./s1.

What are the key properties of N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide?

N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide has a molecular weight of 762.80 g/mol, XLogP of -6.35, 18 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2S,5R)-3,5-dihydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]heptanamide;N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 144823202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).