ChemSpider 2D Image | Acetoxy{4-[2-acetoxy-5-(diacetoxymethyl)-3-methoxyphenoxy]-3-methoxyphenyl}methyl acetate | C26H28O13

Acetoxy{4-[2-acetoxy-5-(diacetoxymethyl)-3-methoxyphenoxy]-3-methoxyphenyl}methyl acetate

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID427531

More details:

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

Acétate d'acétoxy{4-[2-acétoxy-5-(diacétoxyméthyl)-3-méthoxyphénoxy]-3-méthoxyphényl}méthyle [French] [ACD/IUPAC Name]
Acetoxy{4-[2-acetoxy-5-(diacetoxymethyl)-3-methoxyphenoxy]-3-methoxyphenyl}methyl acetate [ACD/IUPAC Name]
Acetoxy{4-[2-acetoxy-5-(diacetoxymethyl)-3-methoxyphenoxy]-3-methoxyphenyl}methyl-acetat [German] [ACD/IUPAC Name]
Methanediol, [4-(acetyloxy)-3-[4-[bis(acetyloxy)methyl]-2-methoxyphenoxy]-5-methoxyphenyl]-, diacetate
Methanediol, 1-[4-(acetyloxy)-3-[4-[bis(acetyloxy)methyl]-2-methoxyphenoxy]-5-methoxyphenyl]-, diacetate [ACD/Index Name]
METHANEDIOL,[4-(ACETYLOXY)-3-[4-[BIS(ACETYLOXY)METHYL]-2-METHOXYPHENOXY]-5-METHOXYPHENYL]-, DIACETATE

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

AIDS110522 [DBID]
AIDS-110522 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 254.3±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.35
ACD/KOC (pH 5.5): 158.92
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.35
ACD/KOC (pH 7.4): 158.92
Polar Surface Area: 159 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 425.8±3.0 cm3

Click to predict properties on the Chemicalize site


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