(2S)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-Benzopyran-4-one sodium salt (1:2)
[CAS# 85006-16-2]

Identification

• Name: (2S)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-Benzopyran-4-one sodium salt (1:2)
• Synonyms: (S)-7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt
• Molecular Formula: C₂₈H₃₆Na₂O₂₁P₂
• Molecular Weight: 816.50
• CAS Registry Number: 85006-16-2
• EINECS: 285-045-6
• SMILES: [Na+].[Na+].OP(O)(=O)Oc1cc(ccc1OC)[C@@H]2CC(=O)c3c(OP(O)(O)=O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O
• InChI: 1S/C28H36O21P2.2Na/c1-10-21(30)23(32)25(34)27(44-10)43-9-19-22(31)24(33)26(35)28(47-19)45-12-6-17-20(18(7-12)49-51(39,40)41)13(29)8-15(46-17)11-3-4-14(42-2)16(5-11)48-50(36,37)38;;/h3-7,10,15,19,21-28,30-35H,8-9H2,1-2H3,(H2,36,37,38)(H2,39,40,41);;/q;2*+1/t10-,15-,19+,21-,22+,23+,24-,25+,26+,27+,28+;;/m0../s1
• InChIKey: ZTLCHGXEZKJBEZ-QCWCCYFDSA-N