Tenofovir Impurity 298

CAT: 1299-RM-T140898-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140898-01Size:10 mg

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CAS Number

105970-02-3

Synonyms

1- (6-amino-9H-purin-9-yl) propan-2-one

Molecular Formula

C8H9N5O

Molecular Weight

191.08

Target Alternative Name

Tenofovir

Product Name Synonym

1- (6-amino-9H-purin-9-yl) propan-2-one

Chemical Information

1-(6-Amino-9H-purin-9-yl)propan-2-one

CAS Number	105970-02-3
PubChem CID	14258026
IUPAC Name	1-(6-aminopurin-9-yl)propan-2-one
Molecular Formula	C8H9N5O
Molecular Weight	191.19
XLogP	-0.2
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	234

SMILES

CC(=O)CN1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C8H9N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-4H,2H2,1H3,(H2,9,10,11)

InChIKey

QVVQIXZDNRKXPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 105970-02-3

CID: 14258026

Formula: C8H9N5O

MW: 191.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.19
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	191.08070993
Monoisotopic Mass	191.08070993
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes