DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

2 FDF Dossiers, 2 Canada

2 FDF Dossiers
2 Canada

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 131933-70-5, Chembl3558649, Dtxsid90927419, 3'-azido-3'-deoxy-5'-[(3-hexadecyloxy-2-ethoxypropyl)phosphoryl] thymidine, [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2-ethoxy-3-hexadecoxy-propyl) hydrogen phosphate, 1-(3-azido-2,3-dideoxy-5-o-{[2-ethoxy-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1h)-one

Molecular Formula

C₃₁H₅₆N₅O₉P

Molecular Weight

673.8 g/mol

InChI Key

VWBKFMVWKPMJJQ-WGAJCZKHSA-N

1 2D Structure

Phospholipid-Azt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-ethoxy-3-hexadecoxypropyl) hydrogen phosphate

2.1.2 InChI

InChI=1S/C31H56N5O9P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-41-22-26(42-5-2)23-43-46(39,40)44-24-28-27(34-35-32)20-29(45-28)36-21-25(3)30(37)33-31(36)38/h21,26-29H,4-20,22-24H2,1-3H3,(H,39,40)(H,33,37,38)/t26?,27-,28+,29+/m0/s1

2.1.3 InChI Key

VWBKFMVWKPMJJQ-WGAJCZKHSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCC

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 131933-70-5

2. Chembl3558649

3. Dtxsid90927419

4. 3'-azido-3'-deoxy-5'-[(3-hexadecyloxy-2-ethoxypropyl)phosphoryl] Thymidine

5. [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2-ethoxy-3-hexadecoxy-propyl) Hydrogen Phosphate

6. 1-(3-azido-2,3-dideoxy-5-o-{[2-ethoxy-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1h)-one

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₅₆N₅O₉P
Molecular Weight	673.8 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	27
Exact Mass	673.38156538 g/mol
Monoisotopic Mass	673.38156538 g/mol
Topological Polar Surface Area	147 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1