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88187-94-4 | Cytidine, 6-amino-
CAS No: 88187-94-4 Catalog No: AG004CD2 MDL No:
Product Description
Catalog Number:
AG004CD2
Chemical Name:
Cytidine, 6-amino-
CAS Number:
88187-94-4
Molecular Formula:
C9H14N4O5
Molecular Weight:
258.2313
IUPAC Name:
4,6-diamino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H14N4O5/c10-4-1-5(11)13(9(17)12-4)8-7(16)6(15)3(2-14)18-8/h1,3,6-8,14-16H,2,11H2,(H2,10,12,17)/t3-,6-,7-,8-/m1/s1
InChI Key:
QTZHUBUBUHOLGU-YXZULKJRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(N)cc(nc1=O)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
258.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
258.234g/mol
Monoisotopic Mass:
258.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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