ChemSpider 2D Image | 5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-hydroxy-3-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | C24H33N7O11P2

5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-hydroxy-3-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC24H33N7O11P2
  • Average mass657.507 Da
  • Monoisotopic mass657.171326 Da
  • ChemSpider ID9333191

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-hydroxy-3-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-hydroxy-3-pyrrolidinyl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[(3R,4R)-1-(3-Carbamoylbenzyl)-4-hydroxy-3-pyrrolidinyl]méthoxy}(hydroxy)phosphoryl]méthyl}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(3R,4R)-1-[[3-(aminocarbonyl)phenyl]methyl]-4-hydroxy-3-pyrrolidinyl]methoxy]hydroxyphosphinyl]methyl]hydroxyphosphinyl]- [ACD/Index Name]
DZD

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

Density: 1.9±0.1 g/cm3
Boiling Point: 994.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.0±3.0 kJ/mol
Flash Point: 555.4±37.1 °C
Index of Refraction: 1.795
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.90
ACD/LogD (pH 5.5): -7.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 104.1±7.0 dyne/cm
Molar Volume: 343.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement