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137017-45-9

137017-45-9 | Cytidine, 2'-deoxy-5-formyl-

CAS No: 137017-45-9 Catalog No: AG0012PF MDL No:

Product Description

Catalog Number:
AG0012PF
Chemical Name:
Cytidine, 2'-deoxy-5-formyl-
CAS Number:
137017-45-9
Molecular Formula:
C10H13N3O5
Molecular Weight:
255.2273
IUPAC Name:
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C10H13N3O5/c11-9-5(3-14)2-13(10(17)12-9)8-1-6(16)7(4-15)18-8/h2-3,6-8,15-16H,1,4H2,(H2,11,12,17)/t6-,7+,8+/m0/s1
InChI Key:
QBADNGFALQJSIH-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=O)c(nc1=O)N

Properties

Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.086g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.23g/mol
Monoisotopic Mass:
255.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

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