ChemSpider 2D Image | (2S)-3-{[(2S)-2-Hydroxypropanoyl]oxy}-1,2-propanediyl dioctadecanoate | C42H80O7

(2S)-3-{[(2S)-2-Hydroxypropanoyl]oxy}-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID34984294

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-{[(2S)-2-Hydroxypropanoyl]oxy}-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
(2S)-3-{[(2S)-2-Hydroxypropanoyl]oxy}-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de (2S)-3-{[(2S)-2-hydroxypropanoyl]oxy}-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, (1S)-1-[[(2S)-2-hydroxy-1-oxopropoxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
1338-10-9 [RN]
215-659-1 [EINECS]
98084-79-8 [RN]
GLYCERYL 1-LACTATE 2,3-DISTEARATE
GLYCERYL LACTOPALMITATE/STEARATE
GLYCERYL LACTOSTEARATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 692.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 185.9±19.2 °C
Index of Refraction: 1.469
Molar Refractivity: 203.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.87
ACD/LogD (pH 5.5): 15.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 730.5±3.0 cm3

Click to predict properties on the Chemicalize site


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