N-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromene-3-Carboxamide
[CAS# 79181-90-1]

Identification

• Name: N-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromene-3-Carboxamide
• Synonyms: N-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromene-3-Carboxamide; N-[3-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-8-Yl)Propyl]-2-Oxo-7-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Chromenecarboxamide; N-[3-(2,6-Diketo-1,3-Dimethyl-7H-Purin-8-Yl)Propyl]-2-Keto-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromene-3-Carboxamide
• Molecular Formula: C₂₆H₂₉N₅O₁₁
• Molecular Weight: 587.54
• CAS Registry Number: 79181-90-1
• EINECS: 279-107-1
• SMILES: [C@@H]5(OC1=CC=C2C(=C1)OC(=O)C(=C2)C(=O)NCCCC3=NC4=C([NH]3)C(=O)N(C(=O)N4C)C)O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C26H29N5O11/c1-30-21-17(23(37)31(2)26(30)39)28-16(29-21)4-3-7-27-22(36)13-8-11-5-6-12(9-14(11)41-24(13)38)40-25-20(35)19(34)18(33)15(10-32)42-25/h5-6,8-9,15,18-20,25,32-35H,3-4,7,10H2,1-2H3,(H,27,36)(H,28,29)/t15-,18+,19+,20-,25-/m1/s1
• InChIKey: PSHIXQHKZSNFIT-XHOFLWIVSA-N

Properties

• Density: 1.59g/cm³ (Cal.)