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)-2,10,17,24,31,38-Hexakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41-dodecaoxahexaspiro[4.2.4~8~.2.4~15 ~.2.4~22~.2.4~29~.2.4~36~.2~5~]dotetracontane-3,4,11,12,18,19,25,26,32,33,39,40-dodecol | C36H60O30

(2R,3S,4S,5R,8R,10R,11S,12S,15R,17R,18S,19S,22R,24R,25S,26S,29R,31R,32S,33S,36R,38R,39S,40S)-2,10,17,24,31,38-Hexakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41-dodecaoxahexaspiro[4.2.48.2.415 .2.422.2.429.2.436.25]dotetracontane-3,4,11,12,18,19,25,26,32,33,39,40-dodecol

  • Molecular FormulaC36H60O30
  • Average mass972.844 Da
  • Monoisotopic mass972.316956 Da
  • ChemSpider ID156859

  • defined stereocentres - 24 of 24 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)-2,10,17,24,31,38-Hexakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41-dodecaoxahexaspiro[4.2.48.2.415 .2.422.2.429.2.436.25]dotetracontan-3,4,11,12,18,19,25,26,32,33,39,40-dodecol [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)-2,10,17,24,31,38-Hexakis(hydroxymethyl)-1,6,9,13,16,20,23,27,30,34,37,41-dodecaoxahexaspiro[4.2.48.2.415 .2.422.2.429.2.436.25]dotetracontane-3,4,11,12,18,19,25,26,32,33,39,40-dodecol [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)-2,10,17,24,31,38-Hexakis(hydroxyméthyl)-1,6,9,13,16,20,23,27,30,34,37,41-dodécaoxahexaspiro[4.2.48.2.415 .2.422.2.429.2.436.25]dotétracontane-3,4,11,12,18,19,25,26,32,33,39,40-dodécol [French] [ACD/IUPAC Name]
124277-48-1 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1425.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 244.3±6.0 kJ/mol
Flash Point: 815.9±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 202.6±0.4 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 95.19
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 95.19
Polar Surface Area: 475 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 133.2±5.0 dyne/cm
Molar Volume: 517.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement