K-252b


Chemical Name: K-252b
CAS Number: 99570-78-2
Product Number: AG005S1L(AGN-PC-015JKR)
Synonyms:
MDL No: MFCD09878299
Molecular Formula: C26H19N3O5
Molecular Weight: 453.4462

Identification/Properties


Properties
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
453.454g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
453.132g/mol
Monoisotopic Mass:
453.132g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
961
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The compound (5S,6R,8R)-6-Hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylic acid is a versatile building block in chemical synthesis. Its unique structure and functional groups make it especially valuable for the formation of complex molecules in organic chemistry. This compound can participate in various reactions such as esterification, amidation, and ring formation, enabling the synthesis of diverse compounds with potential pharmaceutical, agrochemical, or materials applications. Its chiral centers also make it a key starting material for the preparation of enantiopure compounds, which are crucial in drug development and other fields requiring high stereochemical control.