PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | .alpha.-Cyclodextrin | C36H60O30

α-Cyclodextrin

  • Molecular FormulaC36H60O30
  • Average mass972.844 Da
  • Monoisotopic mass972.316956 Da
  • ChemSpider ID392705
  • defined stereocentres - 30 of 30 defined stereocentres


More details:



Featured data source



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

α-Cyclodextrin
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxahe ;ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-31,32,33,34,35,36,37,38,39,40,41,42-dodecol [German] [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxahe ;ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxyméthyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodécaoxahe ;ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotétracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodécol [French] [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxyméthyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodécaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotétracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodécol [French]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)
(5R,10R,15R,20R,25R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
10016-20-3 [RN]
More...

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

28705_FLUKA [DBID]
AIDS187883 [DBID]
AIDS-187883 [DBID]
C4642_SIGMA [DBID]
C4680_SIGMA [DBID]
CHEBI:33103 [DBID]
NCGC00090767-01 [DBID]
NSC 269470 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      278 °C (Decomposes, Literature) Indofine [024438]
      270 °C (Decomposes) OU Chemical Safety Data (No longer updated) More details
      274 °C Biosynth C-9100
      278 °C (Decomposes, Literature) Indofine [024438] , [024438]
      278 °C (Decomposes) Sigma-Aldrich USP-1154558
  • Miscellaneous
    • Appearance:

      hexagonal plates or blade-shaped needles OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Combustbile. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      IPR-RAT LD50 1000 mg kg-1, IVN-RAT LD50 788 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      Minimize contact. OU Chemical Safety Data (No longer updated) More details
    • Chemical Class:

      A cycloamylose composed of six <stereo>alpha</stereo>-(1<arrow>right</arrow>4) linked <stereo>D</stereo>-glucopyranose units. ChEBI CHEBI:40585

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1410.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 241.4±6.0 kJ/mol
Flash Point: 807.1±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 202.4±0.3 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -6.55
ACD/LogD (pH 5.5): -7.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 475 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 598.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement