Cytidine Impurity 9

CAT: 1596-AR-C08976-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08976-04Size:100 Units

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CAS Number

27921-78-4

Molecular Formula

C9H13N3O5

Molecular Weight

243.22

API Name

Cytidine

Chemical Information

4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

CAS Number	27921-78-4
PubChem CID	6476646
IUPAC Name	4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C9H13N3O5
Molecular Weight	243.22
XLogP	-2.1
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	383

SMILES

C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O

InChI

InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m0/s1

InChIKey

UHDGCWIWMRVCDJ-JPCMASIJSA-N

Chemical Structure

2D Structure

CAS: 27921-78-4

CID: 6476646

Formula: C9H13N3O5

MW: 243.22

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	243.22
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	243.08552052
Monoisotopic Mass	243.08552052
Topological Polar Surface Area	129 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	383
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