(3β,4β,5Alpha)-19-Hydroxy-4-[(3-O-Sulfo-β-D-Glucopyranosyl)Oxy]Pregn-20-En-3-Yl Hydrogen Sulfate

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Formula C27H44O14S2
IUPAC Name (3beta,4beta,5alpha)-19-hydroxy-4-[(3-o-sulfo-β-d-glucopyranosyl)oxy]pregn-20-en-3-yl hydrogen sulfate
Molecular Mass 656.760 g·mol−1
Heat of Formation 1194.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 623.93 Å 3
Surface Area 497.98 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry C1
InChIKey WUJFWRYOPRJJBL-XSQKZGFSSA-N
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