[(16S,17R,18R)-5-[[27-Amino-5-[Formyl-[(19R,20R,21R,22S)-20-Hydroxy-9-Methoxy-15,23-Dioxo-42,43,45-Trioxapentacyclo[Blah.Blah.Blah.Blah.Blah.Blah]Nonadeca-2(9),4,8(12),10(13),11(14)-Pentaen-21-Yl]Amino]-26-Oxo-Pyrimidin-25-Yl]Amino]-3-Hydroxy-Tetrahydrofuran-18-Yl]Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H26N5O15P
IUPAC Name [(16s,17r,18r)-5-[[27-amino-5-[formyl-[(19r,20r,21r,22s)-20-hydroxy-9-methoxy-15,23-dioxo-42,43,45-trioxapentacyclo[blah.blah.blah.blah.blah.blah]nonadeca-2(9),4,8(12),10(13),11(14)-pentaen-21-yl]amino]-26-oxo-pyrimidin-25-yl]amino]-3-hydroxy-tetrahydrofuran-18-yl]methyl dihydrogen phosphate
Molecular Mass 691.494 g·mol−1
Heat of Formation -2530.2 ± 16.7 kJ·mol−1
Dipole Moment 12.66 ± 1.08 D
Volume 702.69 Å 3
Surface Area 501.76 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
InChIKey OKIQEPDWYKTICF-MHRKVAGWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N