(3β,4β,5Alpha)-3,19-Dihydroxypregn-20-En-4-Yl 3-O-Sulfo-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H12O11S
IUPAC Name (3beta,4beta,5alpha)-3,19-dihydroxypregn-20-en-4-yl 3-o-sulfo-β-d-glucopyranoside
Molecular Mass 544.443 g·mol−1
Heat of Formation 1780.7 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 569.43 Å 3
Surface Area 478.88 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy -2.93 ± eV
Point Group Symmetry C1
InChIKey KTFHNNJQQWKFQS-XSQKZGFSSA-N
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