(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenyl 3-(1-Aziridinyl)-2,3,6-Trideoxy-4-O-(Methylsulfonyl)-α-L-Lyxo-Hexopyranoside
Properties
Property | Value |
---|---|
Formula | C29H31NO11S |
IUPAC Name | [(2s,3s,4s,6s)-6-[[(1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-2,4-dihydro-1h-tetracen-1-yl]oxy]-4-(aziridin-1-yl)-2-methyl-tetrahydropyran-3-yl] methanesulfonate |
Molecular Mass | 601.622 g·mol−1 |
Heat of Formation | -1618.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.09 ± 1.08 D |
Volume | 649.2 Å 3 |
Surface Area | 523.57 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | -1.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | VMDWTZZCNDEKIO-XVFPZKKBSA-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 |