2-Thio-Riboflavin 5'-(dihydrogen phosphate)
[CAS# 28979-30-8]

Identification

• Name: 2-Thio-Riboflavin 5'-(dihydrogen phosphate)
• Synonyms: [(2R,3S,4S)-5-(7,8-Dimethyl-4-Oxo-2-Thioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(7,8-Dimethyl-4-Oxo-2-Thioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate; [(2R,3S,4S)-2,3,4-Trihydroxy-5-(4-Keto-7,8-Dimethyl-2-Thioxo-Benzo[G]Pteridin-10-Yl)Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₁₇H₂₁N₄O₈PS
• Molecular Weight: 472.41
• CAS Registry Number: 28979-30-8
• SMILES: [C@H](CN2C1=C(C=C(C(=C1)C)C)N=C3C(NC(=S)N=C23)=O)([C@@H]([C@@H](CO[P](O)(=O)O)O)O)O
• InChI: 1S/C17H21N4O8PS/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(31)19-15)5-11(22)14(24)12(23)6-29-30(26,27)28/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,31)(H2,26,27,28)/t11-,12+,14-/m0/s1
• InChIKey: BFPBHBPECIDFOK-SCRDCRAPSA-N

Properties

• Density: 1.815g/cm³ (Cal.)