N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide

C28H62N2O10Si3 — CID 58399715

About N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide

N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide (PubChem CID 58399715) has the molecular formula C28H62N2O10Si3 and a molecular weight of 671.07 g/mol. Its IUPAC name is N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide.

Molecular Properties

• Compound Name: N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide
• PubChem CID: 58399715
• Molecular Formula: C28H62N2O10Si3
• Molecular Weight: 671.07 g/mol
• Exact Mass: 670.37
• IUPAC Name: N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide
• SMILES: CCC(O)C(C)C(O)C(O)C(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNC(=O)C(O)C(O)C(C)C(O)CC
• InChI: InChI=1S/C28H62N2O10Si3/c1-11-21(31)19(3)23(33)25(35)27(37)29-15-13-17-41(5,6)39-43(9,10)40-42(7,8)18-14-16-30-28(38)26(36)24(34)20(4)22(32)12-2/h19-26,31-36H,11-18H2,1-10H3,(H,29,37)(H,30,38)
• InChIKey: ITKHKRJRWFWFHL-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 198.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.07
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide?

The IUPAC name of N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide (CID 58399715) is N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide.

What is the SMILES notation for N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide?

The canonical SMILES for N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide is CCC(O)C(C)C(O)C(O)C(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNC(=O)C(O)C(O)C(C)C(O)CC.

What is the InChIKey of N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide?

The InChIKey is ITKHKRJRWFWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62N2O10Si3/c1-11-21(31)19(3)23(33)25(35)27(37)29-15-13-17-41(5,6)39-43(9,10)40-42(7,8)18-14-16-30-28(38)26(36)24(34)20(4)22(32)12-2/h19-26,31-36H,11-18H2,1-10H3,(H,29,37)(H,30,38).

What are the key properties of N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide?

N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide has a molecular weight of 671.07 g/mol, XLogP of 1.40, 22 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[[dimethyl-[3-[(2,3,5-trihydroxy-4-methylheptanoyl)amino]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-2,3,5-trihydroxy-4-methylheptanamide is sourced from PubChem (CID 58399715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).