ChemSpider 2D Image | (2R,3S,2'S,3'R)-5,5'-{[(2-Methyl-2-propanyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]}di(1,2,3,4-tetrahydro-2,3-naphthalenediol) | C30H43NO8

(2R,3S,2'S,3'R)-5,5'-{[(2-Methyl-2-propanyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]}di(1,2,3,4-tetrahydro-2,3-naphthalenediol)

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID58785687

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,3S,2'S,3'R)-5,5'-{[(2-Methyl-2-propanyl)imino]bis[(2-hydroxy-3,1-propandiyl)oxy]}di(1,2,3,4-tetrahydro-2,3-naphthalindiol) [German] [ACD/IUPAC Name]
(2R,3S,2'S,3'R)-5,5'-{[(2-Méthyl-2-propanyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]}di(1,2,3,4-tétrahydro-2,3-naphtalènediol) [French] [ACD/IUPAC Name]
(2R,3S,2'S,3'R)-5,5'-{[(2-Methyl-2-propanyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]}di(1,2,3,4-tetrahydro-2,3-naphthalenediol) [ACD/IUPAC Name]
2,3-Naphthalenediol, 5,5'-[[(1,1-dimethylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis[1,2,3,4-tetrahydro-, (2R,3S,2'S,3'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 45.53
Polar Surface Area: 143 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 415.1±3.0 cm3

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