Tenofovir Impurity 143

CAT: 1299-RM-T140743-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140743-01Size:10 mg

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CAS Number

121149-98-2

Synonyms

((6-amino-9H-purin-9-yl) methyl) phosphonic acid

Molecular Formula

C6H8N5O3P

Molecular Weight

229.13

Target Alternative Name

Tenofovir

Product Name Synonym

((6-amino-9H-purin-9-yl) methyl) phosphonic acid

Chemical Information

Tenofovir Impurity 143

CAS Number	121149-98-2
PubChem CID	14258004
IUPAC Name	(6-aminopurin-9-yl)methylphosphonic acid
Molecular Formula	C6H8N5O3P
Molecular Weight	229.13
XLogP	-1.9
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	284

SMILES

C1=NC(=C2C(=N1)N(C=N2)CP(=O)(O)O)N

InChI

InChI=1S/C6H8N5O3P/c7-5-4-6(9-1-8-5)11(2-10-4)3-15(12,13)14/h1-2H,3H2,(H2,7,8,9)(H2,12,13,14)

InChIKey

HFGVJCDAQXCXHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121149-98-2

CID: 14258004

Formula: C6H8N5O3P

MW: 229.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.13
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	229.03647613
Monoisotopic Mass	229.03647613
Topological Polar Surface Area	127 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	284
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