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88187-97-7 | Cytidine, 6-amino-2'-deoxy-
CAS No: 88187-97-7 Catalog No: AG004CD1 MDL No:
Product Description
Catalog Number:
AG004CD1
Chemical Name:
Cytidine, 6-amino-2'-deoxy-
CAS Number:
88187-97-7
Molecular Formula:
C9H14N4O4
Molecular Weight:
242.2319
IUPAC Name:
4,6-diamino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H14N4O4/c10-6-2-7(11)13(9(16)12-6)8-1-4(15)5(3-14)17-8/h2,4-5,8,14-15H,1,3,11H2,(H2,10,12,16)/t4-,5+,8+/m0/s1
InChI Key:
QJUULXPOPUZUMT-CPDSJTNBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(N)cc(nc1=O)N
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
242.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.235g/mol
Monoisotopic Mass:
242.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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