3'-Azido-3'-deoxythymidine triphosphate distearoylglycerol

HCID 3081908

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Basic information

CAS: 156705-00-9
Standard SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChIKey: BILCSQHOHZKAFV-XKPASDJRSA-N
Molecular formula: C49H90N5O17P3
Average molar mass: 1,114.2 g/mol
Monoisotopic mass: 1,113.55445741

Overview

an AZT prodrug; structure in first source

Names & identifiers

Preferred name: 3'-Azido-3'-deoxythymidine triphosphate distearoylglycerol
IUPAC: [3-[[[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
English name: 3'-azido-3'-deoxythymidine triphosphate distearoylglycerol
Molecular weight: 0

Names & synonyms

AZTTP-DSG3'-Azido-3'-deoxythymidine triphosphate distearoylglycerol156705-00-9RefChem:90322(R)-3'-Azido-3'-deoxythymidine 5'-(tetrahydrogen triphosphate) P''-(2,3-bis((1-oxooctadecyl)oxy)propyl) esterThymidine 5'-(tetrahydrogen triphosphate), 3'-azido-3'-deoxy-, P''-(2,3-bis((1-oxooctadecyl)oxy)propyl) ester, (R)-[3-[[[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate3/'-azido-3/'-deoxythymidine triphosphate distearoylglycerol

Database identifiers

CAS: 156705-00-9
PubChem CID: 3081908

Properties

Computed structural properties

XLogP: 14
Topological polar surface area: 274 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 19
Rotatable bonds: 49
Heavy atoms: 74
Formal charge: 0
Complexity: 1,860

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