Tenofovir Impurity 237

CAT: 1299-RM-T140837-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140837-01Size:10 mg

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CAS Number

1643116-23-7

Synonyms

Diethyl (R) - (((1- (6-amino-3H-purin-3-yl) propan-2-yl) oxy) methyl) phosphonate

Molecular Formula

C13H22N5O4P

Molecular Weight

343.32

Target Alternative Name

Tenofovir

Product Name Synonym

Diethyl (R) - (((1- (6-amino-3H-purin-3-yl) propan-2-yl) oxy) methyl) phosphonate

Chemical Information

Tenofovir Impurity 237

CAS Number	1643116-23-7
PubChem CID	177832859
IUPAC Name	3-[(2R)-2-(diethoxyphosphorylmethoxy)propyl]-7H-purin-6-imine
Molecular Formula	C13H22N5O4P
Molecular Weight	343.32
XLogP	0.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	479

SMILES

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

InChI

InChI=1S/C13H22N5O4P/c1-4-21-23(19,22-5-2)9-20-10(3)6-18-8-17-12(14)11-13(18)16-7-15-11/h7-8,10,14H,4-6,9H2,1-3H3,(H,15,16)/t10-/m1/s1

InChIKey

KDIFXWPMAVDZCI-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1643116-23-7

CID: 177832859

Formula: C13H22N5O4P

MW: 343.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.32
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	343.14094120
Monoisotopic Mass	343.14094120
Topological Polar Surface Area	113 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	479
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