(2R)-2-[(2,3-Dihydroxybenzoyl)Amino]-3-[(2S)-2-[(2,3-Dihydroxybenzoyl)Amino]-3-[(2S)-2-[(2,3-Dihydroxybenzoyl)Amino]-3-Hydroxy-Propanoyl]Oxy-Propanoyl]Oxy-Propanoic Acid

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Properties Simple | Detailed

Formula C30H29N3O16
IUPAC Name (2r)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2s)-2-[(2,3-dihydroxybenzoyl)amino]-3-[(2s)-2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxy-propanoyl]oxy-propanoyl]oxy-propanoic acid
Molecular Mass 687.562 g·mol−1
Heat of Formation -2606.6 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 733.12 Å 3
Surface Area 627.09 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey NTWRWGRCGVKQNS-KSZLIROESA-N
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