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Fosfadecin

CAT: 0013-GTR19256040-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256040-02Size:50 mg
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Description
Fosfadecin exhibits weak antibacterial activity.
CAS Number
120909-50-4
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COP (OP (=O) (O) [C@@H]4[C@H] (C) O4) (=O) O) [C@H]1O
Molecular Formula
C13H19N5O10P2
Molecular Weight
467.265
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fosfadecin

from Pseudomonas viridiflava PK-5 & Pseudomonas fluorescens PK-52; structure given in first source

CAS Number120909-50-4
PubChem CID149126
IUPAC Name[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-methyloxiran-2-yl)phosphinic acid
Molecular FormulaC13H19N5O10P2
Molecular Weight467.27
XLogP-3.9
Topological Polar Surface Area225
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity749
SMILES
CC1C(O1)P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C13H19N5O10P2/c1-5-13(26-5)29(21,22)28-30(23,24)25-2-6-8(19)9(20)12(27-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12-13,19-20H,2H2,1H3,(H,21,22)(H,23,24)(H2,14,15,16)
InChIKey
XLKKASKVRUMAHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fosfadecin
CAS: 120909-50-4
CID: 149126
Formula: C13H19N5O10P2
MW: 467.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.27
XLogP3-3.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass467.06071582
Monoisotopic Mass467.06071582
Topological Polar Surface Area225 Ų
Heavy Atom Count30
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14404Fosfadecin

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