Found 14 results

Search term: MF = 'C_{40}H_{46}O_{12}'
ChemSpider 2D Image | (1S,2R)-1-[4-({(4S,5R)-4-[4-(Benzyloxy)-3-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-yl}oxy)-3-methoxyphenyl]-2-[4-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-1,3-propanediol | C40H46O12

(1S,2R)-1-[4-({(4S,5R)-4-[4-(Benzyloxy)-3-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-yl}oxy)-3-methoxyphenyl]-2-[4-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-1,3-propanediol

  • Molecular FormulaC40H46O12
  • Average mass718.786 Da
  • Monoisotopic mass718.298950 Da
  • ChemSpider ID8851699

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R)-1-[4-({(4S,5R)-4-[4-(Benzyloxy)-3-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-yl}oxy)-3-methoxyphenyl]-2-[4-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-1,3-propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-[4-({(4S,5R)-4-[4-(Benzyloxy)-3-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-yl}oxy)-3-methoxyphenyl]-2-[4-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-1,3-propanediol [ACD/IUPAC Name]
(1S,2R)-1-[4-({(4S,5R)-4-[4-(Benzyloxy)-3-méthoxyphényl]-2,2-diméthyl-1,3-dioxan-5-yl}oxy)-3-méthoxyphényl]-2-[4-(1,3-dioxolan-2-yl)-2-méthoxyphénoxy]-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 2-[4-(1,3-dioxolan-2-yl)-2-methoxyphenoxy]-1-[3-methoxy-4-[[(4S,5R)-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy]phenyl]-, (1S,2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 858.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 472.8±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 191.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 674.28
ACD/KOC (pH 5.5): 3685.43
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 674.28
ACD/KOC (pH 7.4): 3685.42
Polar Surface Area: 133 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 576.7±3.0 cm3

Click to predict properties on the Chemicalize site


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