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100898-91-7 | Uridine, 3',5'-diamino-2',3',5'-trideoxy- (9CI)
CAS No: 100898-91-7 Catalog No: AG00034D MDL No:
Product Description
Catalog Number:
AG00034D
Chemical Name:
Uridine, 3',5'-diamino-2',3',5'-trideoxy- (9CI)
CAS Number:
100898-91-7
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
1-[(2R,4S,5R)-4-amino-5-(aminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H14N4O3/c10-4-6-5(11)3-8(16-6)13-2-1-7(14)12-9(13)15/h1-2,5-6,8H,3-4,10-11H2,(H,12,14,15)/t5-,6+,8+/m0/s1
InChI Key:
LLALVLGIDQQCHW-SHYZEUOFSA-N
SMILES:
NC[C@H]1O[C@H](C[C@@H]1N)n1ccc(=O)[nH]c1=O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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