2-amino-6-[(2R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydroxypropyl]-1H-pteridin-4-one
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2-amino-6-[(2R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydroxypropyl]-1H-pteridin-4-one
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CAS No:
114312-02-6
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Formula:
C15H22N6O8
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Chemical Name:
2-amino-6-[(2R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydroxypropyl]-1H-pteridin-4-one
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Synonyms:
Solfapterin;
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CAS No:
2-amino-6-[(2R)-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydroxypropyl]-1H-pteridin-4-one Basic Attributes
414.37100
414.14991168
Computed Properties
Molecular Weight:414.37
XLogP3:-5.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:414.14991168
Monoisotopic Mass:414.14991168
Topological Polar Surface Area:239
Heavy Atom Count:29
Complexity:626
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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