N-[(3α,12α)-3,12-Dihydroxy-24-Oxocholan-24-Yl]-L-Tyrosine

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Properties Simple | Detailed

Formula C33H49NO6
IUPAC Name (2s)-2-[[(4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 555.745 g·mol−1
Heat of Formation -1385.7 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 701.34 Å 3
Surface Area 484.31 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey NABZNAJLBCRTJM-LAYWWTAYSA-N
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