[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate
[CAS# 34469-63-1]

Identification

• Name: [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate
• Synonyms: [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; [(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate; [(2S,3R,4R)-5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₁₇H₂₁N₄O₉P
• Molecular Weight: 456.35
• CAS Registry Number: 34469-63-1
• SMILES: [C@@H](CN1C3=C(N=C2C1=NC(NC2=O)=O)C=C(C(=C3)C)C)([C@H]([C@H](CO[P](O)(O)=O)O)O)O
• InChI: 1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m1/s1
• InChIKey: FVTCRASFADXXNN-MBNYWOFBSA-N

Properties

• Density: 1.834g/cm³ (Cal.)

References

• (1): Zoltowski et al.. Mechanism based tuning of a LOV domain photoreceptor, Nature Chemical Biology, 2009