ChemSpider 2D Image | Dicrocin | C32H44O14

Dicrocin

  • Molecular FormulaC32H44O14
  • Average mass652.683 Da
  • Monoisotopic mass652.273132 Da
  • ChemSpider ID17216196

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

Dicrocin
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tétraméthyl-2,4,6,8,10,12,14-hexadécaheptaènedioate de (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle et de (3R,4S,5S,6R)-3,4,5-trihyd roxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4 ,6,8,10,12,14-hexadecaheptaenedioate [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4 ,6,8,10,12,14-hexadecaheptaendioat [German] [ACD/IUPAC Name]
57710-64-2 [RN]
crocetin di-(β-d-glucosyl)-ester
crocetin di-(β-δ-glucosyl)-ester
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 275.6±27.8 °C
Index of Refraction: 1.618
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 77.47
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 77.46
Polar Surface Area: 233 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

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