(7S)-2-Amino-7-[4-[(7S)-2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Oxo-3,8-Dihydropurin-1-Ium-8-Id-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3,8-Dihydropurin-1-Ium-8-Id-6-One
Properties
Property | Value |
---|---|
Formula | C24H38N10O10++ |
IUPAC Name | (7s)-2-amino-7-[4-[(7s)-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3,8-dihydropurin-1-ium-8-id-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurin-1-ium-8-id-6-one |
Molecular Mass | 626.620 g·mol−1 |
Heat of Formation | -1177.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.23 ± 1.08 D |
Volume | 659.26 Å 3 |
Surface Area | 429.98 Å 2 |
HOMO Energy | -5.05 ± 0.55 eV |
LUMO Energy | -1.73 ± eV |
Point Group Symmetry | C1 |
InChIKey | JXXFRDLOMGHKQP-IQMWXLPRSA-R |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |