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128439-97-4 | 5-Pyrimidinepropanoic acid, 1-(3-azido-3-deoxy-β-D-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-
CAS No: 128439-97-4 Catalog No: AG000Y35 MDL No:
Product Description
Catalog Number:
AG000Y35
Chemical Name:
5-Pyrimidinepropanoic acid, 1-(3-azido-3-deoxy-β-D-ribofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-
CAS Number:
128439-97-4
Molecular Formula:
C12H15N5O7
Molecular Weight:
341.2768
IUPAC Name:
3-[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid
InChI:
InChI=1S/C13H19N5O6/c1-13(3-2-10(20)21)6-18(12(23)15-11(13)22)9-4-7(16-17-14)8(5-19)24-9/h7-9,19H,2-6H2,1H3,(H,20,21)(H,15,22,23)/t7-,8+,9+,13?/m0/s1
InChI Key:
PBRKCSJDBPPXGO-ZNZYSOMVSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1N=[N+]=[N-])O)n1cc(CCC(=O)O)c(=O)[nH]c1=O
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
341.134g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.324g/mol
Monoisotopic Mass:
341.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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