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401812-87-1 | Cytidine, N-acetyl-2'-deoxy-2'-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS No: 401812-87-1 Catalog No: AG00750F MDL No:
Product Description
Catalog Number:
AG00750F
Chemical Name:
Cytidine, N-acetyl-2'-deoxy-2'-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS Number:
401812-87-1
Molecular Formula:
C19H18N4O7
Molecular Weight:
414.3688
IUPAC Name:
N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI:
InChI=1S/C19H18N4O7/c1-9(25)20-13-6-7-22(19(29)21-13)18-14(15(26)12(8-24)30-18)23-16(27)10-4-2-3-5-11(10)17(23)28/h2-7,12,14-15,18,24,26H,8H2,1H3,(H,20,21,25,29)/t12-,14-,15-,18-/m1/s1
InChI Key:
OAEOHMGPVNXALA-SCFUHWHPSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N1C(=O)c2c(C1=O)cccc2)n1ccc(nc1=O)NC(=O)C
Properties
Complexity:
817
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
414.118g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.374g/mol
Monoisotopic Mass:
414.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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