Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | (5xi,9xi,13xi,14xi,17xi,20S,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yl acetate | C40H66O12

(5ξ,9ξ,13ξ,14ξ,17ξ,20S,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yl acetate

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID5144337

  • defined stereocentres - 4 of 17 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,14ξ,17ξ,20S,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yl acetate [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,14ξ,17ξ,20S,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,9ξ,13ξ,14ξ,17ξ,20S,23S)-7-[(6-O-acétylhexopyranosyl)oxy]-23,24,25-trihydroxy-13,30-cyclodammaran-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (5ξ,9ξ,13ξ,14ξ,17ξ,20S,23S)-3-(acetyloxy)-23,24,25-trihydroxy-13,30-cyclodammaran-7-yl, 6-acetate [ACD/Index Name]

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

NCI60_021722 [DBID]
NSC663007 [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: 824.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.4±6.0 kJ/mol
Flash Point: 242.5±27.8 °C
Index of Refraction: 1.576
Molar Refractivity: 191.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2662.84
ACD/KOC (pH 5.5): 9850.49
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2662.82
ACD/KOC (pH 7.4): 9850.41
Polar Surface Area: 192 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 578.0±5.0 cm3

Click to predict properties on the Chemicalize site


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