(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Butanedioic Acid
Properties
Property | Value |
---|---|
Formula | C14H17N5O8 |
IUPAC Name | (2s)-2-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid |
Molecular Mass | 383.313 g·mol−1 |
Heat of Formation | -1191.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.91 ± 1.08 D |
Volume | 409.2 Å 3 |
Surface Area | 358.53 Å 2 |
HOMO Energy | -9.10 ± 0.55 eV |
LUMO Energy | -0.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZRUQFFTVKPNRBV-VWJPMABRSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |