(2R,3R,3As,9Ar)-3-Hydroxy-2-(Hydroxymethyl)-6-Oxo-2,3,3A,9A-Tetrahydro-6H-Furo[2',3':4,5][1,3]Oxazolo[3,2-A]Pyrimidine-8-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C10H10N2O7 |
IUPAC Name | (2r,4r,5r,6s)-5-hydroxy-4-(hydroxymethyl)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-diene-12-carboxylic acid |
Molecular Mass | 270.196 g·mol−1 |
Heat of Formation | -1003.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.63 ± 1.08 D |
Volume | 275.69 Å 3 |
Surface Area | 243.14 Å 2 |
HOMO Energy | -10.01 ± 0.55 eV |
LUMO Energy | 1.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | DSHIOTZLUFLXCT-CCXZUQQUSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |