N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide

C43H80FNO8 — CID 174273587

About N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide

N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide (PubChem CID 174273587) has the molecular formula C43H80FNO8 and a molecular weight of 758.11 g/mol. Its IUPAC name is N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide.

Molecular Properties

• Compound Name: N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide
• PubChem CID: 174273587
• Molecular Formula: C43H80FNO8
• Molecular Weight: 758.11 g/mol
• Exact Mass: 757.59
• IUPAC Name: N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide
• SMILES: CC[C@@H](O)[C@@H](O)[C@H](CCC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)[C@@H]2C
• InChI: InChI=1S/C43H80FNO8/c1-3-34(47)38(49)33(26-27-35-39(50)41(52)40(51)36(29-46)53-35)45-37(48)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-28-42-30-43(44,31-42)32(42)2/h32-36,38-41,46-47,49-52H,3-31H2,1-2H3,(H,45,48)/t32-,33+,34-,35?,36?,38+,39?,40?,41?,42?,43?/m1/s1
• InChIKey: PIEFLULASOJVPO-VIXWKAOKSA-N
• XLogP: 7.34
• TPSA: 159.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 32
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.11
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide?

The IUPAC name of N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide (CID 174273587) is N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide.

What is the SMILES notation for N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide?

The canonical SMILES for N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide is CC[C@@H](O)[C@@H](O)[C@H](CCC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)[C@@H]2C.

What is the InChIKey of N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide?

The InChIKey is PIEFLULASOJVPO-VIXWKAOKSA-N. The full InChI is InChI=1S/C43H80FNO8/c1-3-34(47)38(49)33(26-27-35-39(50)41(52)40(51)36(29-46)53-35)45-37(48)25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-28-42-30-43(44,31-42)32(42)2/h32-36,38-41,46-47,49-52H,3-31H2,1-2H3,(H,45,48)/t32-,33+,34-,35?,36?,38+,39?,40?,41?,42?,43?/m1/s1.

What are the key properties of N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide?

N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide has a molecular weight of 758.11 g/mol, XLogP of 7.34, 32 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S,5R)-4,5-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]-24-[(2R)-3-fluoro-2-methyl-1-bicyclo[1.1.1]pentanyl]tetracosanamide is sourced from PubChem (CID 174273587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).