(2S)-2-[[9-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]-3-Phosphono-Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C13H19N5O12P2 |
IUPAC Name | (2s)-2-[[9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]-3-phosphono-propanoic acid |
Molecular Mass | 499.264 g·mol−1 |
Heat of Formation | -2485.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.29 ± 1.08 D |
Volume | 498.11 Å 3 |
Surface Area | 421.76 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -0.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | VGQJISQEJNHGFP-DHVQZWLTSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |