4-(2,3-Butadien-1-Yloxy)Benzyl β-D-Mannopyranoside

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Properties Simple | Detailed

Formula C17H22O7
IUPAC Name (2r,3s,4s,5s,6r)-2-[(4-buta-2,3-dienoxyphenyl)methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 338.352 g·mol−1
Heat of Formation -996.3 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 399.08 Å 3
Surface Area 365.35 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey PLHYONMLZLAVMD-UHDSXZAQSA-N
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Elements H C O