ChemSpider 2D Image | 1-O-[(3alpha,12alpha,13alpha,14beta,16beta,17alpha)-3-Acetoxy-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]-beta-L-glucopyranose | C38H56O14

1-O-[(3α,12α,13α,14β,16β,17α)-3-Acetoxy-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]-β-L-glucopyranose

  • Molecular FormulaC38H56O14
  • Average mass736.843 Da
  • Monoisotopic mass736.367004 Da
  • ChemSpider ID4883379

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-O-[(3α,12α,13α,14β,16β,17α)-3-Acetoxy-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]-β-L-glucopyranose [ACD/IUPAC Name]
1-O-[(3α,12α,13α,14β,16β,17α)-3-Acetoxy-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3α,12α,13α,14β,16β,17α)-3-Acétoxy-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dién-28-yl]-β-L-glucopyranose [French] [ACD/IUPAC Name]
R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
β-L-Glucopyranose, 1-O-[(3α,12α,13α,14β,16β,17α)-3-(acetyloxy)-12,16,30-trihydroxy-21,23,28-trioxolanosta-7,24-dien-28-yl]- [ACD/Index Name]
GR4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 858.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 257.9±27.8 °C
Index of Refraction: 1.603
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.75
ACD/KOC (pH 5.5): 89.70
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 89.70
Polar Surface Area: 238 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 534.6±5.0 cm3

Click to predict properties on the Chemicalize site


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