(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

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N