1-O-(Carboxyacetyl)-5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol
[CAS# 88623-79-4]

Identification

• Name: 1-O-(Carboxyacetyl)-5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol
• Synonyms: 5'-Malonylriboflavin; F1-X Chromophore; Riboflavin, 5'-(hydrogen propanedioate)
• Molecular Formula: C₂₀H₂₂N₄O₉
• Molecular Weight: 462.41
• CAS Registry Number: 88623-79-4
• SMILES: O=C(O)CC(=O)OC[C@H](O)[C@H](O)[C@H](O)CN\2c3cc(c(cc3/N=C1\C/2=N/C(=O)NC1=O)C)C
• InChI: 1S/C20H22N4O9/c1-8-3-10-11(4-9(8)2)24(18-16(21-10)19(31)23-20(32)22-18)6-12(25)17(30)13(26)7-33-15(29)5-14(27)28/h3-4,12-13,17,25-26,30H,5-7H2,1-2H3,(H,27,28)(H,23,31,32)/t12-,13+,17-/m1/s1
• InChIKey: XNRSUGNJLHVYCT-IIYDPXPESA-N

Properties

• Density: 1.672g/cm³ (Cal.)