4-Isothiocyanatophenyl 6-O-Phosphono-α-D-Mannopyranoside
Properties
Property | Value |
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Formula | C13H16NO9PS |
IUPAC Name | [(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)tetrahydropyran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 393.306 g·mol−1 |
Heat of Formation | -1706.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.48 ± 1.08 D |
Volume | 404.57 Å 3 |
Surface Area | 325.86 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | -1.15 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | JFSIORWKDATPCG-BNDIWNMDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P S |