N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide

C14H28N2O10 — CID 153485190

About N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide

N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (PubChem CID 153485190) has the molecular formula C14H28N2O10 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
• PubChem CID: 153485190
• Molecular Formula: C14H28N2O10
• Molecular Weight: 384.38 g/mol
• Exact Mass: 384.17
• IUPAC Name: N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
• SMILES: NCCCNC(=O)C(O)C(O)C(O)C(O)C1OC(CO)C(O)C(O)C1O
• InChI: InChI=1S/C14H28N2O10/c15-2-1-3-16-14(25)12(24)9(21)8(20)11(23)13-10(22)7(19)6(18)5(4-17)26-13/h5-13,17-24H,1-4,15H2,(H,16,25)
• InChIKey: AZQFVFBSFSRAAT-UHFFFAOYSA-N
• XLogP: -6.26
• TPSA: 226.19 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	384.38
LogP ≤ 5	-6.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?

The IUPAC name of N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (CID 153485190) is N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.

What is the SMILES notation for N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?

The canonical SMILES for N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is NCCCNC(=O)C(O)C(O)C(O)C(O)C1OC(CO)C(O)C(O)C1O.

What is the InChIKey of N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?

The InChIKey is AZQFVFBSFSRAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O10/c15-2-1-3-16-14(25)12(24)9(21)8(20)11(23)13-10(22)7(19)6(18)5(4-17)26-13/h5-13,17-24H,1-4,15H2,(H,16,25).

What are the key properties of N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?

N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide has a molecular weight of 384.38 g/mol, XLogP of -6.26, 9 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-2,3,4,5-tetrahydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is sourced from PubChem (CID 153485190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).