Neohesperidin
Basic Information
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Specifications
- IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
- EC Number: 236-216-9
- Molecular Weight: 610.6
- Chemical Formula: C28H34O15
- CAS Number: 13241-33-3
Other Information
Additional Description:
Molecular Weight: 610.6 g/mol
Molecular Formula: C28H34O15
XLogP3: -0.5
Hydrogen Bond Donor Count: 8
Hydrogen Bond Acceptor Count: 15
Rotatable Bond Count: 7
Exact Mass: 610.18977037 g/mol
Monoisotopic Mass: 610.18977037 g/mol
Topological Polar Surface Area: 234 Ų
Heavy Atom Count: 43
Formal Charge: 0
Complexity: 940
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 10
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently Bonded Unit Count: 1
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