Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester structure

Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester

2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

CAS: 1256-10-6
Molecular Formula C14H27N4O11P2+
Molecular Weight 489.33 g/mol
LogP -3.9
Topological Polar Surface Area 211.0 A2
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
Rotatable Bonds 10
Exact Mass 489.11514
Heavy Atoms 31
Complexity 830.0

Chemical Identifiers

CAS Number 1256-10-6
SMILES C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
InChIKey RZZPDXZPRHQOCG-OJAKKHQRSA-O

📖 Product Overview

Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester (CAS: 1256-10-6) is a chemical compound with molecular formula C14H27N4O11P2+ and molecular weight 489.33 g/mol. Its IUPAC systematic name is 2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium. LogP -3.9 Topological Polar Surface Area 211.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 10 Exact Mass 489.11514 Heavy Atoms 31 Complexity 830.0 InChI Key: RZZPDXZPRHQOCG-OJAKKHQRSA-O. SMILES: C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.

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