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138191-94-3 | 2,4(1H,3H)-Pyrimidinedione, 1-[(1R,2S,3S)-3-azido-2-hydroxycyclopentyl]-, rel-
CAS No: 138191-94-3 Catalog No: AG00185F MDL No:
Product Description
Catalog Number:
AG00185F
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(1R,2S,3S)-3-azido-2-hydroxycyclopentyl]-, rel-
CAS Number:
138191-94-3
Molecular Formula:
C9H11N5O3
Molecular Weight:
237.2153
IUPAC Name:
1-[(1R,2S,3S)-3-azido-2-hydroxycyclopentyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11N5O3/c10-13-12-5-1-2-6(8(5)16)14-4-3-7(15)11-9(14)17/h3-6,8,16H,1-2H2,(H,11,15,17)/t5-,6+,8+/m0/s1
InChI Key:
UJTLQEPJDHHFHA-SHYZEUOFSA-N
SMILES:
[N-]=[N+]=N[C@H]1CC[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
237.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.219g/mol
Monoisotopic Mass:
237.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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