[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

Base Information

• Chemical Name: [[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• CAS No.: 1280130-08-6
• Molecular Formula: C19H30N5O10P
• Molecular Weight: 519.4
• UNII: TLO785XZL3
• Mol file: 1280130-08-6.mol

Synonyms:1280130-08-6;TLO785XZL3;Tenofovir disoproxil (S)-enantiomer;UNII-TLO785XZL3;Tenofovir disoproxil fumarate impurity G [WHO-IP];[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-(((1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) ester, 5-oxide;5-[[(1S)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic acid 1,9-bis(1-methylethyl) ester 5-oxide;Bis(1-methylethyl) 5-(((1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-5-oxo-2,4,6,8-tetraoxa-5-lambda5-phosphanonanedioate [WHO-IP];SCHEMBL18907027;JFVZFKDSXNQEJW-AWEZNQCLSA-N;A901052;BIS(1-METHYLETHYL) 5-(((1S)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-5-OXO-2,4,6,8-TETRAOXA-5-.LAMBDA.5-PHOSPHANONANEDIOATE [WHO-IP]

Chemical Property of [[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

Chemical Property:

• PKA: 4.20±0.10(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 17
• Exact Mass: 519.17302917
• Heavy Atom Count: 35
• Complexity: 698

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C
• Isomeric SMILES: C[C@@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
• Uses: Tenofovir S-Enantiomer is an enantiomer of Tenofovir; which is an antivral agent.