ChemSpider 2D Image | (2S,3R)-3,4-Bis[(4-hydroxybenzoyl)oxy]-1,2-butanediyl bis(4-hydroxybenzoate) | C32H26O12

(2S,3R)-3,4-Bis[(4-hydroxybenzoyl)oxy]-1,2-butanediyl bis(4-hydroxybenzoate)

  • Molecular FormulaC32H26O12
  • Average mass602.542 Da
  • Monoisotopic mass602.142456 Da
  • ChemSpider ID66031

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3,4-Bis[(4-hydroxybenzoyl)oxy]-1,2-butandiyl-bis(4-hydroxybenzoat) [German] [ACD/IUPAC Name]
(2S,3R)-3,4-Bis[(4-hydroxybenzoyl)oxy]-1,2-butanediyl bis(4-hydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S)-1-[(1R)-1,2-bis[(4-hydroxybenzoyl)oxy]ethyl]-1,2-ethanediyl ester [ACD/Index Name]
Bis(4-hydroxybenzoate) de (2S,3R)-3,4-bis[(4-hydroxybenzoyl)oxy]-1,2-butanediyle [French] [ACD/IUPAC Name]
[(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate
[Erythrityl tetrakis(p-hydroxybenzoate)]
87697-99-2 [RN]
Benzoic acid, 4-hydroxy-, (2R,3S)-1,2,3,4-butanetetrayl ester, rel-
Benzoic acid, 4-hydroxy-, 1,2,3,4-butanetetrayl ester, (R*,S*)-
Erythrityl tetrakis (4-hydroxybenzoate)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS085693 [DBID]
AIDS-085693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 843.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 274.1±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 73228.84
ACD/KOC (pH 5.5): 105193.49
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 27855.56
ACD/KOC (pH 7.4): 40014.61
Polar Surface Area: 186 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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