CAS No.66323-44-2,3'-Azido-2',3'-dideoxyadenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66323-44-2
Name:	3'-Azido-2',3'-dideoxyadenosine
Article Data:	4

Formula:	C₁₀H₁₂N₈O₂
Molecular Weight:	276.258
Synonyms:	3'-Azido-2',3'-dideoxyadenosine;3'-Azido-ddA;3'-AzddAdo;3'-N3-ddA;AZA;[(2S,3S,5R)-5-(6-Aminopurin-9-yl)-3-azidooxolan-2-yl]methanol;
Melting Point:	186-187 °C
Solubility:	153 mg/L at 25 °C in water
PSA:	148.83000
LogP:	0.40116

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Specification

The IUPAC name of 3'-Azido-2',3'-dideoxyadenosine is [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methanol. With the CAS registry number 66323-44-2, it is also named as 3'-AzddAdo. In addition, its molecular formula is C₁₀H₁₂N₈O₂ and molecular weight is 276.25.

The other characteristics of 3'-Azido-2',3'-dideoxyadenosine can be summarized as: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.55; (7)ACD/KOC (pH 7.4): 18.81; (8)#H bond acceptors: 10; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)XLogP3: 0.4; (12)Rotatable Bond Count: 3; (13)Tautomer Count: 3; (14)Exact Mass: 276.108322; (15)MonoIsotopic Mass: 276.108322; (16)Topological Polar Surface Area: 113; (17)Heavy Atom Count: 20; (18)Complexity: 403; (19)Polar Surface Area: 77.66 Å²; (20)Water Solubility: 153 mg/L at 25 °C; (21)Vapor Pressure 5.82E-19 mm Hg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [N-]=[N+]=N/[C@@H]3[C@H](O[C@@H](n2cnc1c(ncnc12)N)C3)CO
(2)InChI: InChI=1/C10H12N8O2/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(2-19)20-7/h3-7,19H,1-2H2,(H2,11,13,14)/t5-,6+,7+/m0/s1
(3)InChIKey: XDRZJDXXQHFAAE-RRKCRQDMBW
(4)Std. InChI: InChI=1S/C10H12N8O2/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(2-19)20-7/h3-7,19H,1-2H2,(H2,11,13,14)/t5-,6+,7+/m0/s1
(5)Std. InChIKey: XDRZJDXXQHFAAE-RRKCRQDMSA-N