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GS-7339 monofumarate

CAT: 0931-T31998-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T31998-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422343-76-7
Target
Others
Related Pathways
Others
Bioactivity
GS-7339 monofumarate is a bioactive chemical.
Smiles
OC(=O)\C=C\C(O)=O.CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)Oc1ccccc1
Molecular Formula
C25H33N6O9P
Molecular Weight
592.546
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GS-7339 monofumarate
CAS Number1422343-76-7
PubChem CID9830002
IUPAC Name(E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC25H33N6O9P
Molecular Weight592.5
Topological Polar Surface Area218
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count41
Formal Charge0
Complexity799
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C21H29N6O5P.C4H4O4/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,16+,33-;/m1./s1
InChIKey
MEJAFWXKUKMUIR-BVSQZBJNSA-N
Chemical Structure
2D Structure
2D structure of GS-7339 monofumarate
CAS: 1422343-76-7
CID: 9830002
Formula: C25H33N6O9P
MW: 592.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass592.20466365
Monoisotopic Mass592.20466365
Topological Polar Surface Area218 Ų
Heavy Atom Count41
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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