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Penciclovir Diacetate

CAT: 0572-TRC-P221505-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P221505-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97845-72-2
Synonyms
9-[4-(acetyloxy)-3-[(acetyloxy)methyl]butyl]-2-amino-1,9-dihydro-6H-Purin-6-one; 9-[4-(Acetyloxy)-3-[(acetyloxy)methyl]butyl]-2-amino-1,9-dihydro-6H-purin-6-one; BRL 39913; BRU 39913; Di-O-acetylpenciclovir; Penciclovir diacetate; O,O-Diacetylpenciclovir
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(=O)OCC(CCn1cnc2C(=O)N=C(N)Nc12)COC(=O)C
Molecular Formula
C14 H19 N5 O5
Molecular Weight
337.33
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)
Additionnal Information
IUPAC name: [2-(acetyloxymethyl)-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Penciclovir Diacetate

6-oxo-famciclovir is a member of purines.

CAS Number97845-72-2
PubChem CID135428158
IUPAC Name[2-(acetyloxymethyl)-4-(2-amino-6-oxo-1H-purin-9-yl)butyl] acetate
Molecular FormulaC14H19N5O5
Molecular Weight337.33
XLogP-0.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity520
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
2D structure of Penciclovir Diacetate
CAS: 97845-72-2
CID: 135428158
Formula: C14H19N5O5
MW: 337.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.33
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass337.13861872
Monoisotopic Mass337.13861872
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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