2-[[4-[2-[[5-[7-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-4-carboxybutanoyl]amino]pentanedioic acid

Base Information

• Chemical Name: 2-[[4-[2-[[5-[7-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-4-carboxybutanoyl]amino]pentanedioic acid
• CAS No.: 95617-07-5
• Molecular Formula: C39H48 N10 O24 P2
• Molecular Weight: 1102.81
• Mol file: 95617-07-5.mol

Synonyms:2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-4-carboxybutanoyl]amino]pentanedioic acid;P-5-(S)-N-(N-(1-Oxo-2-(phosphonooxy)propyl)-L-gamma-glutamyl)-L-glutamate;L-Glutamic acid, N-(N-(1-oxo-2-(phosphonooxy)propyl)-L-gamma-glutamyl)-, P-5-ester with 1-(8-(5'-adenylyloxy)-3,4-dihydro-2,4-dioxopyrimido(4,5-b)quinolin-10(2H)-yl)-1-deoxy-D-ribitol, (S)-

Chemical Property of 2-[[4-[2-[[5-[7-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-4-carboxybutanoyl]amino]pentanedioic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 548.99000
• Density: 1.97g/cm³
• LogP: -2.47330
• XLogP3: -6.8
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 26
• Exact Mass: 1102.23181643
• Heavy Atom Count: 75
• Complexity: 2320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=C(C=C(C=C2)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)C=C6C1=NC(=O)NC6=O)O)O)O