3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydro-2-Thiophenecarbonitrile (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C6H9NO3S |
| IUPAC Name | (2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophene-2-carbonitrile |
| Molecular Mass | 175.206 g·mol−1 |
| Heat of Formation | -438.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.11 ± 1.08 D |
| Volume | 197.66 Å 3 |
| Surface Area | 187.39 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MCYMGESMEKDINR-JGWLITMVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |