Penciclovir diacetate

CAT: 0926-XDA84572Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XDA84572Size:100 mg

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CAS Number

97845-72-2

Smiles

CCC1=C (N (N=C1C) C2=CC=C (C=C2) C (=O) O) C

Molecular Formula

C14H19N5O5

Molecular Weight

337.33 g/mol

Controlled

Chemical Information

Penciclovir Diacetate

6-oxo-famciclovir is a member of purines.

CAS Number	97845-72-2
PubChem CID	135428158
IUPAC Name	[2-(acetyloxymethyl)-4-(2-amino-6-oxo-1H-purin-9-yl)butyl] acetate
Molecular Formula	C14H19N5O5
Molecular Weight	337.33
XLogP	-0.8
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	520

SMILES

CC(=O)OCC(CCN1C=NC2=C1N=C(NC2=O)N)COC(=O)C

InChI

InChI=1S/C14H19N5O5/c1-8(20)23-5-10(6-24-9(2)21)3-4-19-7-16-11-12(19)17-14(15)18-13(11)22/h7,10H,3-6H2,1-2H3,(H3,15,17,18,22)

InChIKey

KQURMIWGELPUHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97845-72-2

CID: 135428158

Formula: C14H19N5O5

MW: 337.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.33
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	337.13861872
Monoisotopic Mass	337.13861872
Topological Polar Surface Area	138 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	520
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
TRC-P221505-10MG	Penciclovir Diacetate
HY-17424-01	Penciclovir