Tenofovir Impurity 172

CAT: 1299-RM-T140772-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140772-01Size:10 mg

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

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CAS Number

1643116-24-8

Synonyms

(R) - (((1- (6-amino-3H-purin-3-yl) propan-2-yl) oxy) methyl) phosphonic acid

Molecular Formula

C9H14N5O4P

Molecular Weight

287.21

Target Alternative Name

Tenofovir

Product Name Synonym

(R) - (((1- (6-amino-3H-purin-3-yl) propan-2-yl) oxy) methyl) phosphonic acid

Chemical Information

(R)-(((1-(6-Amino-3H-purin-3-yl)propan-2-yl)oxy)methyl)phosphonic acid

CAS Number	1643116-24-8
PubChem CID	163197502
IUPAC Name	[(2R)-1-(6-imino-7H-purin-3-yl)propan-2-yl]oxymethylphosphonic acid
Molecular Formula	C9H14N5O4P
Molecular Weight	287.21
XLogP	-1.7
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	425

SMILES

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

InChI

InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-8(10)7-9(14)12-3-11-7/h3-4,6,10H,2,5H2,1H3,(H,11,12)(H2,15,16,17)/t6-/m1/s1

InChIKey

SOOHUJDLAOFUJS-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 1643116-24-8

CID: 163197502

Formula: C9H14N5O4P

MW: 287.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.21
XLogP3	-1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	287.07834094
Monoisotopic Mass	287.07834094
Topological Polar Surface Area	135 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	425
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