Product Name

  • Name

    2-Acetamido-6-chloro-9-(2',3',5'-tri-o-acetyl-beta-d-ribofuranosyl)purine

  • EINECS
  • CAS No. 137896-02-7
  • Article Data3
  • CAS DataBase
  • Density 1.636 g/cm3
  • Solubility
  • Melting Point 71-73°C
  • Formula C18H20ClN5O8
  • Boiling Point
  • Molecular Weight 469.83
  • Flash Point
  • Transport Information
  • Appearance Light orange solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 137896-02-7 (2-Acetamido-6-chloro-9-(2',3',5'-tri-o-acetyl-beta-d-ribofuranosyl)purine)
  • Hazard Symbols
  • Synonyms [(2R,3S,4S,5R)-5-(2-Acetamido-6-chloro-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate;
  • PSA 160.83000
  • LogP 0.83500

2-Acetamido-6-chloro-9-(2',3',5'-tri-o-acetyl-beta-d-ribofuranosyl)purine Specification

The chemical with CAS registry number of 137896-02-7 is known as 2-Acetamido-6-chloro-9-(2',3',5'-tri-o-acetyl-beta-d-ribofuranosyl)purine. The systematic name is [(2R,3S,4S,5R)-5-(2-Acetamido-6-chloro-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate. It belongs to product categories of Bases & Related Reagents; Nucleotides. In addition, the formula is C18H20ClN5O8 and the molecular weight is 469.83. This chemical is a light orange solid.

Physical properties about 2-Acetamido-6-chloro-9-(2',3',5'-tri-o-acetyl-beta-d-ribofuranosyl)purine are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 21.473; (5)ACD/KOC (pH 7.4): 21.248; (6)#H bond acceptors: 13; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 8; (9)Index of Refraction: 1.667; (10)Molar Refractivity: 106.851 cm3; (11)Molar Volume: 287.11 cm3; (12)Surface Tension: 59.156 dyne/cm; (13)Density: 1.636 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)Nc1nc2c(c(n1)Cl)ncn2[C@H]3[C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
2. InChI: InChI=1/C18H20ClN5O8/c1-7(25)21-18-22-15(19)12-16(23-18)24(6-20-12)17-14(31-10(4)28)13(30-9(3)27)11(32-17)5-29-8(2)26/h6,11,13-14,17H,5H2,1-4H3,(H,21,22,23,25)/t11-,13+,14+,17-/m1/s1
3. InChIKey: OVXYEIBYTBNNFE-LRCAOYNABH
4. Std. InChI: InChI=1S/C18H20ClN5O8/c1-7(25)21-18-22-15(19)12-16(23-18)24(6-20-12)17-14(31-10(4)28)13(30-9(3)27)11(32-17)5-29-8(2)26/h6,11,13-14,17H,5H2,1-4H3,(H,21,22,23,25)/t11-,13+,14+,17-/m1/s1
5. Std. InChIKey: OVXYEIBYTBNNFE-LRCAOYNASA-N

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