6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide

C22H43NO7 — CID 121310105

About 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide

6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide (PubChem CID 121310105) has the molecular formula C22H43NO7 and a molecular weight of 433.59 g/mol. Its IUPAC name is 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide.

Molecular Properties

• Compound Name: 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide
• PubChem CID: 121310105
• Molecular Formula: C22H43NO7
• Molecular Weight: 433.59 g/mol
• Exact Mass: 433.30
• IUPAC Name: 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide
• SMILES: CC(C)OCCCCCCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1C
• InChI: InChI=1S/C22H43NO7/c1-16(2)28-13-9-5-4-8-12-23-19(25)11-7-6-10-14-29-22-17(3)20(26)21(27)18(15-24)30-22/h16-18,20-22,24,26-27H,4-15H2,1-3H3,(H,23,25)/t17-,18?,20?,21-,22+/m0/s1
• InChIKey: OJKFIMBRDIDOCE-ZFLWSFLBSA-N
• XLogP: 1.74
• TPSA: 117.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.59
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide?

The IUPAC name of 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide (CID 121310105) is 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide.

What is the SMILES notation for 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide?

The canonical SMILES for 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide is CC(C)OCCCCCCNC(=O)CCCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1C.

What is the InChIKey of 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide?

The InChIKey is OJKFIMBRDIDOCE-ZFLWSFLBSA-N. The full InChI is InChI=1S/C22H43NO7/c1-16(2)28-13-9-5-4-8-12-23-19(25)11-7-6-10-14-29-22-17(3)20(26)21(27)18(15-24)30-22/h16-18,20-22,24,26-27H,4-15H2,1-3H3,(H,23,25)/t17-,18?,20?,21-,22+/m0/s1.

What are the key properties of 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide?

6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide has a molecular weight of 433.59 g/mol, XLogP of 1.74, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-N-(6-propan-2-yloxyhexyl)hexanamide is sourced from PubChem (CID 121310105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).