3,4-Dihydro-5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-4-Oxo-2H-1-Benzopyran-7-Yl 6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-2-O-Phosphonato-beta-D-Glucopyranoside Sodium Salt (1:1)
[CAS# 12707-67-4]

Identification

• Name: 3,4-Dihydro-5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-4-Oxo-2H-1-Benzopyran-7-Yl 6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-2-O-Phosphonato-beta-D-Glucopyranoside Sodium Salt (1:1)
• Synonyms: 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-l-mannopyranosyl)-β-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, phosphate, sodium salt
• Molecular Formula: C₂₈H₃₃NaO₁₈P
• Molecular Weight: 711.51
• CAS Registry Number: 12707-67-4
• EINECS: 235-779-8
• SMILES: [Na+].COc1ccc(cc1O)C2CC(=O)c3c(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]5OP([O-])([O-])=O
• InChI: 1S/C28H35O18P.Na/c1-10-21(32)23(34)25(36)27(42-10)41-9-19-22(33)24(35)26(46-47(37,38)39)28(45-19)43-12-6-14(30)20-15(31)8-17(44-18(20)7-12)11-3-4-16(40-2)13(29)5-11;/h3-7,10,17,19,21-30,32-36H,8-9H2,1-2H3,(H2,37,38,39);/q;+1/p-2/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+;/m0./s1
• InChIKey: UWRJZXLOYHSKGV-FRVHDUOWSA-L

Properties

• Refractive index: (Cal.)