1-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione

Base Information

• Chemical Name: 1-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione
• CAS No.: 247025-17-8
• Molecular Formula: C₁₁H₁₃N₅O₅
• Molecular Weight: 295.255
• DSSTox Substance ID: DTXSID701110603
• Nikkaji Number: J1.164.639E

Synonyms:DTXSID701110603;2'alpha,4'-(Epoxymethano)-3'alpha-azido-3'-deoxythymidine;1-(3-Azido-3-deoxy-2-O,4-C-methylene-.beta.-D-ribofuranosyl)-thymine;1-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione;1-[2,5-Anhydro-3-azido-3-deoxy-4-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione;247025-17-8

Chemical Property of 1-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 295.09166853
• Heavy Atom Count: 21
• Complexity: 586

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)CO)N=[N+]=[N-]
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)N=[N+]=[N-]

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