ChemSpider 2D Image | (2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S,43R,45R,46S,47S)-2,10,17,24,31,38,45-Heptakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41,44,48-tetradec aoxaheptaspiro[4.2.4~8~.2.4~15~.2.4~22~.2.4~29~.2.4~36~.2.4~43~.2~5~]nonatetracontane-3,4,11,12,18,19,25,26,32,33,39,40,46,47-tetradecol | C42H70O35

(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S,43R,45R,46S,47S)-2,10,17,24,31,38,45-Heptakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41,44,48-tetradec aoxaheptaspiro[4.2.48.2.415.2.422.2.429.2.436.2.443.25]nonatetracontane-3,4,11,12,18,19,25,26,32,33,39,40,46,47-tetradecol

  • Molecular FormulaC42H70O35
  • Average mass1134.984 Da
  • Monoisotopic mass1134.369751 Da
  • ChemSpider ID10003868

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S,43R,45R,46S,47S)-2,10,17,24,31,38,45-Heptakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41,44,48-tetradec ;aoxaheptaspiro[4.2.48.2.415.2.422.2.429.2.436.2.443.25]nonatetracontan-3,4,11,12,18,19,25,26,32,33,39,40,46,47-tetradecol [German] [ACD/IUPAC Name]
(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S,43R,45R,46S,47S)-2,10,17,24,31,38,45-Heptakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41,44,48-tetradec ;aoxaheptaspiro[4.2.48.2.415.2.422.2.429.2.436.2.443.25]nonatetracontane-3,4,11,12,18,19,25,26,32,33,39,40,46,47-tetradecol [ACD/IUPAC Name]
(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S,43R,45R,46S,47S)-2,10,17,24,31,38,45-Heptakis(hydroxyméthyl)-1,6,9,13,16,20,23,27,30,34,37,41,44,48-tétradéc ;aoxaheptaspiro[4.2.48.2.415.2.422.2.429.2.436.2.443.25]nonatétracontane-3,4,11,12,18,19,25,26,32,33,39,40,46,47-tétradécol [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1557.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 271.4±6.0 kJ/mol
Flash Point: 895.7±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 236.4±0.4 cm3
#H bond acceptors: 35
#H bond donors: 21
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.98
ACD/KOC (pH 5.5): 180.54
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.98
ACD/KOC (pH 7.4): 180.54
Polar Surface Area: 554 Å2
Polarizability: 93.7±0.5 10-24cm3
Surface Tension: 137.1±5.0 dyne/cm
Molar Volume: 599.2±5.0 cm3

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