Found 1 result

Search term: HCCBNDDJPKNSLM-HNOUMJPASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3S)-4-[(3-{[2-(hexadecylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihyd rogen diphosphate (non-preferred name) | C37H68N7O16P3S

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3S)-4-[(3-{[2-(hexadecylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihyd rogen diphosphate (non-preferred name)

  • Molecular FormulaC37H68N7O16P3S
  • Average mass991.959 Da
  • Monoisotopic mass991.365601 Da
  • ChemSpider ID59053795

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl (3S)-4-[(3-{[2-(hexadecylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihyd rogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl-(3S)-4-[(3-{[2-(hexadecylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyldihydr ogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[[(2{R},3{S},4{R},5{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen
Adenosine, 5'-O-[(S)-[[(S)-[(3S)-4-[[3-[[2-(hexadecylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Adenosine, 5'-O-[[[[(3S)-4-[[3-[[2-(hexadecylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]méthyle et de (3S)-4-[(3-{[2-(hexadécylsulfanyl)éthyl]amino}-3-oxopropyl)amino]-3-hydr oxy-2,2-diméthyl-4-oxobutyle (non-preferred name) [French] [ACD/IUPAC Name]
[[(2{r},3{s},4{r},5{r})-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] [(3~{s})-4-[[3-(2-Hexadecylsulfanylethylamino)-3-Oxidanylidene-Propyl]amino]-2,2-Dimethyl-3-Oxidanyl-4-Oxidanylidene-Butyl] Hydrogen Phosphate
HD6

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 231.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 3.91
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 401 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 652.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement