Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | (3alpha,7alpha,20S,23R,24S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxydammar-13(17)-en-3-yl acetate | C40H66O12

(3α,7α,20S,23R,24S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxydammar-13(17)-en-3-yl acetate

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID341639

  • defined stereocentres - 10 of 15 defined stereocentres

More details:

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

(3α,7α,20S,23R,24S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxydammar-13(17)-en-3-yl acetate [ACD/IUPAC Name]
(3α,7α,20S,23R,24S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxydammar-13(17)-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,20S,23R,24S)-7-[(6-O-acétylhexopyranosyl)oxy]-23,24,25-trihydroxydammar-13(17)-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (3α,7α,20S,23R,24S)-3-(acetyloxy)-23,24,25-trihydroxydammar-13(17)-en-7-yl, 6-acetate [ACD/Index Name]

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

NCI60_027257 [DBID]
NSC676809 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 813.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 237.7±27.8 °C
Index of Refraction: 1.568
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8011.96
ACD/KOC (pH 5.5): 21671.38
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8011.89
ACD/KOC (pH 7.4): 21671.19
Polar Surface Area: 192 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 588.8±5.0 cm3

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