Ganciclovir monophosphonate

CAT: 0013-GTR19209646-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19209646-01Size:25 mg

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Description

Ganciclovir monophosphate is a synthetic 2'-deoxyguanosine analog and potent antiviral agent. It inhibits cytomegalovirus (CMV) replication with an IC50 of 0.01 μM in vitro and is used in research models across multiple species to study CMV pathogenesis and antiviral therapies.

CAS Number

151006-30-3

Field of Research

Pharmacology & Drug Discovery

Smiles

C (O[C@H] (CCP (=O) (O) O) CO) N1C2=C (N=C1) C (=O) N=C (N) N2

Molecular Formula

C10H16N5O6P

Molecular Weight

333.24

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(3-((2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-4-hydroxybutyl)phosphonic acid

CAS Number	151006-30-3
PubChem CID	135415625
IUPAC Name	[(3R)-3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-4-hydroxybutyl]phosphonic acid
Molecular Formula	C10H16N5O6P
Molecular Weight	333.24
XLogP	-3.3
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	496

SMILES

C1=NC2=C(N1CO[C@H](CCP(=O)(O)O)CO)N=C(NC2=O)N

InChI

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-4-15(8)5-21-6(3-16)1-2-22(18,19)20/h4,6,16H,1-3,5H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1

InChIKey

QVNXYSKNFUJRMI-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 151006-30-3

CID: 135415625

Formula: C10H16N5O6P

MW: 333.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	333.24
XLogP3	-3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	333.08382024
Monoisotopic Mass	333.08382024
Topological Polar Surface Area	172 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	496
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

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