b-D-Glucopyranosiduronic acid, (3a,5b,20S)-20-hydroxypregnan-3-yl


Chemical Name: b-D-Glucopyranosiduronic acid, (3a,5b,20S)-20-hydroxypregnan-3-yl
CAS Number: 1852-49-9
Product Number: AG0077IH(AGN-PC-0QE57U)
Synonyms:
MDL No:
Molecular Formula: C27H44O8
Molecular Weight: 496.6335

Identification/Properties


Computed Properties
Molecular Weight:
496.641g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
4
Exact Mass:
496.304g/mol
Monoisotopic Mass:
496.304g/mol
Topological Polar Surface Area:
137A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
806
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
14
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



5β-Pregnane-3α,20α-diol glucuronide plays a crucial role in chemical synthesis as a key intermediate in the production of various pharmaceutical compounds. This compound is frequently utilized as a starting material for the synthesis of corticosteroids and other related drugs due to its structural significance and reactivity. By integrating 5β-Pregnane-3α,20α-diol glucuronide into synthetic pathways, chemists can efficiently access target molecules with desired bioactive properties. Its tailored chemical properties enable precise modifications and functionalizations, making it a valuable component in the intricate process of pharmaceutical synthesis.