Methyl (2E)-4-{[(5α,6Beta)-17-(Cyclopropylmethyl)-3,14-Dihydroxy-4,5-Epoxymorphinan-6-Yl]Amino}-4-Oxo-2-Butenoate
Properties
Property | Value |
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Formula | C25H30N2O6 |
IUPAC Name | methyl (e)-4-[[(3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxo-but-2-enoate |
Molecular Mass | 454.516 g·mol−1 |
Heat of Formation | -796.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.00 ± 1.08 D |
Volume | 530.9 Å 3 |
Surface Area | 435.13 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -0.60 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | PQKHESYTSKMWFP-WZJCLRDWSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |