[4-(6-Amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Base Information

• Chemical Name: [4-(6-Amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
• CAS No.: 24639-06-3
• Molecular Formula: C13H16 Cl N5 O4
• Molecular Weight: 341.754
• NSC Number: 164687
• DSSTox Substance ID: DTXSID10947573
• Mol file: 24639-06-3.mol

Synonyms:24639-06-3;[4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;2-Chloroadenosine-2',3'-acetonide;NSC164687;2-CHLORO-9-(2,3-O-ISOPROPYLIDENE-beta-D-RIBOFURANOSYL)ADENINE;SCHEMBL19387129;DTXSID10947573;AB85765;NSC-164687;FT-0664543;2-Chloro-9-[2,3-O-(1-methylethylidene)pentofuranosyl]-9H-purin-6-amine;[(3aR,4R,6R,6aR)-4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Chemical Property of [4-(6-Amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Melting Point: 186-187°C
• Boiling Point: 517.7°Cat760mmHg
• PKA: 14.14±0.10(Predicted)
• Flash Point: 266.9°C
• PSA: 117.54000
• Density: 1.9g/cm³
• LogP: 1.05290
• Storage Temp.: Refrigerator
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 341.0890817
• Heavy Atom Count: 23
• Complexity: 472

Purity/Quality:

97% ^*data from raw suppliers

((3AR,4R,6R,6aR)-6-(6-Amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C(N=C(N=C43)Cl)N)CO)C
• Uses: nucleoside analogue