Adefovir Dipivoxil Impurity 16

CAT: 1596-AR-A05612-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05612-01Size:10 Units

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CAS Number

116384-54-4

Molecular Formula

C10H16N5O4P

Molecular Weight

301.24

API Name

Adefovir

Chemical Information

O-Ethyl Adefovir

CAS Number	116384-54-4
PubChem CID	472246
IUPAC Name	2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphinic acid
Molecular Formula	C10H16N5O4P
Molecular Weight	301.24
XLogP	-1.1
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	361

SMILES

CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C10H16N5O4P/c1-2-19-20(16,17)7-18-4-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H2,11,12,13)

InChIKey

MRBIAWVMKIZTRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116384-54-4

CID: 472246

Formula: C10H16N5O4P

MW: 301.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.24
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	301.09399101
Monoisotopic Mass	301.09399101
Topological Polar Surface Area	125 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361
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

Catalog	Name
AR-A01427-01	Adefovir Dipivoxil Impurity G
AR-A01432-01	Adefovir Dipivoxil Impurity 7
AR-A05608-01	Adefovir Dipivoxil Impurity 14
AR-A05607-01	Adefovir Dipivoxil Impurity 13
AR-A01426-01	Adefovir Dipivoxil Impurity 1
AR-A01434-01	Adefovir Dipivoxil Impurity 9
AR-A05615-01	Adefovir Dipivoxil Impurity 18
AR-A05613-01	Adefovir Dipivoxil Impurity 17
AR-A05606-01	Adefovir Dipivoxil Impurity 12
AR-A01421-01	Adefovir Dipivoxil