Tenofovir Impurity 127

CAT: 1299-RM-T140727-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140727-01Size:10 mg

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CAS Number

1643116-22-6

Synonyms

(R) -1- (6-amino-3H-purin-3-yl) propan-2-ol

Molecular Formula

C8H11N5O

Molecular Weight

193.21

Target Alternative Name

Tenofovir

Product Name Synonym

(R) -1- (6-amino-3H-purin-3-yl) propan-2-ol

Chemical Information

Tenofovir Impurity 77

CAS Number	1643116-22-6
PubChem CID	139229840
IUPAC Name	(2R)-1-(6-imino-7H-purin-3-yl)propan-2-ol
Molecular Formula	C8H11N5O
Molecular Weight	193.21
XLogP	-0.5
Topological Polar Surface Area	88.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	266

SMILES

C[C@H](CN1C=NC(=N)C2=C1N=CN2)O

InChI

InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-7(9)6-8(13)11-3-10-6/h3-5,9,14H,2H2,1H3,(H,10,11)/t5-/m1/s1

InChIKey

ULNYUKOBTPFIDK-RXMQYKEDSA-N

Chemical Structure

2D Structure

CAS: 1643116-22-6

CID: 139229840

Formula: C8H11N5O

MW: 193.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.21
XLogP3	-0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	193.09635999
Monoisotopic Mass	193.09635999
Topological Polar Surface Area	88.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes