Azacitidine Impurity 55

CAT: 1299-RM-A260355-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A260355-03Size:50 mg

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CAS Number

2775292-14-1

Synonyms

N-[Imino (β-D-ribofuranosylamino) methyl]urea; β-D-Ribofuranosyl-3-aminocarbonyl guanidine

Molecular Formula

C7H14N4O5

Molecular Weight

234.21

Target Alternative Name

Azacitidine

Product Name Synonym

N-[Imino (β-D-ribofuranosylamino) methyl]urea; β-D-Ribofuranosyl-3-aminocarbonyl guanidine

Chemical Information

Ribosyl guanylurea

CAS Number	2775292-14-1
PubChem CID	125296123
IUPAC Name	[N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamimidoyl]urea
Molecular Formula	C7H14N4O5
Molecular Weight	234.21
XLogP	-2.7
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	297

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N=C(N)NC(=O)N)O)O)O

InChI

InChI=1S/C7H14N4O5/c8-6(11-7(9)15)10-5-4(14)3(13)2(1-12)16-5/h2-5,12-14H,1H2,(H5,8,9,10,11,15)/t2-,3-,4-,5-/m1/s1

InChIKey

CIJYDUAJRTVZLU-TXICZTDVSA-N

Chemical Structure

2D Structure

CAS: 2775292-14-1

CID: 125296123

Formula: C7H14N4O5

MW: 234.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.21
XLogP3	-2.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	234.09641956
Monoisotopic Mass	234.09641956
Topological Polar Surface Area	163 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes