Hexyl (29R,31S,32R)-32-Hydroxy-31-Methyl-28-Oxo-39-Oxa-33-Aza-34,35-Diazoniaoctacyclo[Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah.Blah]Octacosa-3(7),4(6),5(9),8(19),10(21),11(33),18(20),22,24,26(35),27(34)-Undecaene-32-Carboxylate
Properties
Property | Value |
---|---|
Formula | C32H29N3O5 |
IUPAC Name | hexyl (29r,31s,32r)-32-hydroxy-31-methyl-28-oxo-39-oxa-33-aza-34,35-diazoniaoctacyclo[blah.blah.blah.blah.blah.blah.blah.blah.blah]octacosa-3(7),4(6),5(9),8(19),10(21),11(33),18(20),22,24,26(35),27(34)-undecaene-32-carboxylate |
Molecular Mass | 535.590 g·mol−1 |
Heat of Formation | -396.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.87 ± 1.08 D |
Volume | 611.97 Å 3 |
Surface Area | 491.27 Å 2 |
HOMO Energy | -8.15 ± 0.55 eV |
LUMO Energy | 1.64 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZDVKBGNYCWCWDZ-MWOZDUBJSA-N |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |