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1217838-71-5 | Biopterin-d3
CAS No: 1217838-71-5 Catalog No: AG00160M MDL No:
Product Description
Catalog Number:
AG00160M
Chemical Name:
Biopterin-d3
CAS Number:
1217838-71-5
Molecular Formula:
C9H8D3N5O3
Molecular Weight:
240.2338
IUPAC Name:
2-amino-6-[(1R,2S)-3,3,3-trideuterio-1,2-dihydroxypropyl]-3H-pteridin-4-one
InChI:
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1/i1D3
InChI Key:
LHQIJBMDNUYRAM-OERXLRDQSA-N
SMILES:
O[C@@H](C([2H])([2H])[2H])[C@@H](c1cnc2c(n1)c(O)nc(n2)N)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
3
Molecular Weight:
240.237g/mol
Monoisotopic Mass:
240.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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