5'-Thymidylic acid,3'-azido-3'-deoxy- supplier

Name
3'-AZIDO-2',3'-DIDEOXY-THYMIDINE-5'-MONOPHOSPHATE, SODIUM SALT
EINECS
CAS No. 29706-85-2
Article Data3
CAS DataBase
Density
Solubility
Melting Point 154-160°C (dec.)
Formula C₁₀H₁₄N₅O₇P
Boiling Point
Molecular Weight 347.224
Flash Point
Transport Information
Appearance Pale yellow solid
Safety 36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Thymidine,3'-azido-3'-deoxy-, 5'-(dihydrogen phosphate) (8CI);3'-Azido-3'-deoxy-5'-thymidylic acid;3'-Azido-3'-deoxythymidine5'-monophosphate;3'-Azido-3'-deoxythymidine 5'-phosphate;3'-Azidothymidinemonophosphate;AZT 5'-monophosphate;AZT monophosphate;AZT-MP;Azidothymidinemonophosphate;Zidovudine monophosphate;
PSA 168.21000
LogP -0.51550

5'-Thymidylic acid,3'-azido-3'-deoxy- Specification

The 5'-Thymidylic acid,3'-azido-3'-deoxy-, with the CAS registry number 29706-85-2, is also known as 3'-Azido-2',3'-deoxythymidine 5'-monophosphate. It belongs to the product category of Metabolites. This chemical's molecular formula is C₁₀H₁₄N₅O₇P and molecular weight is 347.221221. Its IUPAC name is called [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate. What's more, this chemical is a metabolite of the potent and selective inhibitor of HIV-1 replication, AZT.

Physical properties of 5'-Thymidylic acid,3'-azido-3'-deoxy-: (1)ACD/LogP: -1.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.58; (4)ACD/LogD (pH 7.4): -5.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 116.78 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-]
(2)Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]
(3)InChI: InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
(4)InChIKey: OIFWQOKDSPDILA-XLPZGREQSA-N

Product Name

3'-AZIDO-2',3'-DIDEOXY-THYMIDINE-5'-MONOPHOSPHATE, SODIUM SALT

5'-Thymidylic acid,3'-azido-3'-deoxy- Specification

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