ChemSpider 2D Image | dNaM | C16H18O4

dNaM

  • Molecular FormulaC16H18O4
  • Average mass274.312 Da
  • Monoisotopic mass274.120514 Da
  • ChemSpider ID58191600
  • 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-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-desoxy-1-(3-methoxy-2-naphthyl)-D-erythro-pentitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2-désoxy-1-(3-méthoxy-2-naphtyl)-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,4-anhydro-2-deoxy-1-C-(3-methoxy-2-naphthalenyl)-, (1R)- [ACD/Index Name]
(2R,3S,5R)-2-(hydroxymethyl)-5-(3-methoxynaphthalen-2-yl)tetrahydrofuran-3-ol
1117893-19-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.24
ACD/KOC (pH 5.5): 255.97
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.24
ACD/KOC (pH 7.4): 255.97
Polar Surface Area: 59 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

Click to predict properties on the Chemicalize site






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