ChemSpider 2D Image | (1R)-1,4-Anhydro-2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol | C16H21O13P3

(1R)-1,4-Anhydro-2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol

  • Molecular FormulaC16H21O13P3
  • Average mass514.251 Da
  • Monoisotopic mass514.019470 Da
  • ChemSpider ID35035732
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R)-1,4-Anhydro-2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-desoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-désoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-méthoxy-2-naphtyl)-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,4-anhydro-2-deoxy-5-O-[(R)-hydroxy[[(R)-hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-1-C-(3-methoxy-2-naphthalenyl)-, (1R)- [ACD/Index Name]
((2r,3s,5r)-3-Hydroxy-5-(3-Methoxynaphthalen-2-Yl)methyl-Tetrahydrogen-Triphosphate
BMR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 791.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -8.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

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