Methyl (1S,4As,7As)-1-(α-D-Glucopyranosyloxy)-7-[(1S)-2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-Yl]-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate
Properties
Property | Value |
---|---|
Formula | C27H32N2O9 |
IUPAC Name | methyl (1s,4as,7as)-7-[(1s)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl]-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
Molecular Mass | 528.551 g·mol−1 |
Heat of Formation | -1332.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.55 ± 1.08 D |
Volume | 598.9 Å 3 |
Surface Area | 467.05 Å 2 |
HOMO Energy | -8.21 ± 0.55 eV |
LUMO Energy | -0.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | CNDZNSRMCKQXEC-FEVNHLBLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |