Tenofovir Impurity 126

CAT: 1299-RM-T140726-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140726-01Size:10 mg

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

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CAS Number

182626-47-7

Synonyms

1- (6-amino-7H-purin-7-yl) propan-2-ol

Molecular Formula

C8H11N5O

Molecular Weight

193.21

Target Alternative Name

Tenofovir

Product Name Synonym

1- (6-amino-7H-purin-7-yl) propan-2-ol

Chemical Information

Tenofovir Impurity 126

CAS Number	182626-47-7
PubChem CID	44572472
IUPAC Name	1-(6-aminopurin-7-yl)propan-2-ol
Molecular Formula	C8H11N5O
Molecular Weight	193.21
XLogP	-0.6
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	202

SMILES

CC(CN1C=NC2=NC=NC(=C21)N)O

InChI

InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-8-6(13)7(9)10-3-11-8/h3-5,14H,2H2,1H3,(H2,9,10,11)

InChIKey

GJQYTEXMDZPNSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182626-47-7

CID: 44572472

Formula: C8H11N5O

MW: 193.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.21
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	193.09635999
Monoisotopic Mass	193.09635999
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes