4,5-Anhydro-1,2,6-Trideoxy-2-{[N-(Phenoxyacetyl)-L-Valyl]Amino}-1,6-Diphenyl-D-Galactitol

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Properties Simple | Detailed

Formula C31H36N2O5
IUPAC Name (2s)-n-[(1s,2r)-1-benzyl-2-[(2r,3r)-3-benzyloxiran-2-yl]-2-hydroxy-ethyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
Molecular Mass 516.628 g·mol−1
Heat of Formation -617.7 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 655.2 Å 3
Surface Area 502.33 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
InChIKey ZYLARFCKPNSSDA-OUFDATPMSA-N
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