Trachelanthamine

• CAS: 14140-18-2
• Catalog Number: ACM14140182
• Category: Other Products
• Molecular Weight: 285.38
• Molecular Formula: C₁₅H₂₇NO₄
• Synonyms: (2S,3R)-((1R,7aS)-Hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
• InChI: InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15+/m1/s1
• InChI Key: BWQSLRZZOVFVHJ-OSFYFWSMSA-N
• Complexity: 360
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 285.19400834
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: C[C@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O
• Monoisotopic Mass: 285.19400834
• Physical State: Powder
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 70 Ų

Custom Q&A

What is the full chemical name of Trachelanthamine?

The full chemical name of Trachelanthamine is (2S,3R)-2,3-Dihydroxy-2-isopropylbutanoic acid [(1R,7aS)-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-1-yl]methyl ester.

What are some common synonyms for Trachelanthamine?

Some common synonyms for Trachelanthamine include thrachelanthamine, traehelanthamine, and Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2S,3R)-.

What is the CAS number of Trachelanthamine?

The CAS number of Trachelanthamine is 14140-18-2.

What is the molecular formula of Trachelanthamine?

The molecular formula of Trachelanthamine is C15H27NO4.

What is the molecular weight of Trachelanthamine?

The molecular weight of Trachelanthamine is 285.38.

What is the melting point of Trachelanthamine?

The melting point of Trachelanthamine is 91-92 °C.

What is the boiling point of Trachelanthamine?

The boiling point of Trachelanthamine is predicted to be 413.5±14.0 °C.

What is the density of Trachelanthamine?

The density of Trachelanthamine is predicted to be 1.16±0.1 g/cm3.

What is the predicted pka value of Trachelanthamine?

The predicted pka value of Trachelanthamine is 12.61±0.29.

What are some potential applications of Trachelanthamine based on its chemical properties?

Trachelanthamine may have potential uses in pharmaceuticals or medicinal chemistry due to its unique chemical structure and properties.