Found 1 result

Search term: MF = 'C_{17}H_{26}N_{8}O_{9}P'
ChemSpider 2D Image | (3S)-3-amino-4-[[3-aminopropoxy-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]-4-oxo-butanoate | C17H26N8O9P

(3S)-3-amino-4-[[3-aminopropoxy-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]-4-oxo-butanoate

  • Molecular FormulaC17H26N8O9P
  • Average mass517.411 Da
  • Monoisotopic mass517.156555 Da
  • ChemSpider ID28532909

  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine anion
(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine(1-)
5'-O-[{[(2S)-2-Amino-3-carboxylatopropanoyl]amino}(3-aminopropoxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-3-carboxylatopropanoyl]amino}(3-aminopropoxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[(2S)-2-Amino-3-carboxylatopropanoyl]amino}(3-aminopropoxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      A beta-amino-acid anion obtained by deprotonation of the carboxy group of (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine. ChEBI CHEBI:65330

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement