2'-Azido-2'-deoxyuridine

The 2'-Azido-2'-deoxyuridine, with its CAS registry number 26929-65-7, has the IUPAC name of 1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione. And its product categories are including Nucleoside AnalogsChemical Ligation; Biochemicals and Reagents; Click Chemistry; Nucleosides, Nucleotides, Oligonucleotides; Organic Azides.

The characteristics of 2'-Azido-2'-deoxyuridine are as below: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.03; (8)ACD/KOC (pH 7.4): 5.19; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 80.67; (13)Exact Mass: 269.076018; (14)MonoIsotopic Mass: 269.076018; (15)Topological Polar Surface Area: 114; (16)Heavy Atom Count: 19; (17)Complexity: 474; (18)Defined Atom StereoCenter Count: 4.

When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may then cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and then try to avoid contacting with skin and eyes. Then if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Beside, do not breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
(2)Isomeric SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
(3)InChI: InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
(4)InChIKey: MRUKYOQQKHNMFI-XVFCMESISA-N