Azacitidine Impurity 45

CAT: 1596-AR-A07718-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-A07718-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

18531-23-2

Molecular Formula

C11H15N3O6

Molecular Weight

285.26

API Name

Azacitidine

Chemical Information

5'-o-Acetylcytidine

CAS Number	18531-23-2
PubChem CID	14506329
IUPAC Name	[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Molecular Formula	C11H15N3O6
Molecular Weight	285.25
XLogP	-1.8
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	477

SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

InChI

InChI=1S/C11H15N3O6/c1-5(15)19-4-6-8(16)9(17)10(20-6)14-3-2-7(12)13-11(14)18/h2-3,6,8-10,16-17H,4H2,1H3,(H2,12,13,18)/t6-,8-,9-,10-/m1/s1

InChIKey

MEGJUQPFTKBELR-PEBGCTIMSA-N

Chemical Structure

2D Structure

CAS: 18531-23-2

CID: 14506329

Formula: C11H15N3O6

MW: 285.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.25
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	285.09608521
Monoisotopic Mass	285.09608521
Topological Polar Surface Area	135 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	477
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes