CAS No.29706-85-2,3'-AZIDO-2',3'-DIDEOXY-THYMIDINE-5'-MONOPHOSPHATE, SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29706-85-2
Name:	3'-AZIDO-2',3'-DIDEOXY-THYMIDINE-5'-MONOPHOSPHATE, SODIUM SALT
Article Data:	3

Formula:	C₁₀H₁₄N₅O₇P
Molecular Weight:	347.224
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;
Melting Point:	154-160°C (dec.)
Appearance:	Pale yellow solid
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	168.21000
LogP:	-0.51550

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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