Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (3xi,5beta,7beta,10beta,13alpha)-4-Acetoxy-1,13-dihydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | C31H40O10

(3ξ,5β,7β,10β,13α)-4-Acetoxy-1,13-dihydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID58106956

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3ξ,5β,7β,10β,13α)-4-Acetoxy-1,13-dihydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(3ξ,5β,7β,10β,13α)-4-Acetoxy-1,13-dihydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9 S,11S,12bS)- [ACD/Index Name]
Benzoate de (3ξ,5β,7β,10β,13α)-4-acétoxy-1,13-dihydroxy-7,10-diméthoxy-9-oxo-5,20-époxytax-11-én-2-yle [French] [ACD/IUPAC Name]
183133-94-0 [RN]
7,10-Dimethoxy-10-DAB III
7?,10?-dimethoxy-10-deacetylbaccatinIII
9-(Tetrahydro-2H-pyran-2-yl)-9H-purine [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.50
ACD/KOC (pH 5.5): 812.12
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.50
ACD/KOC (pH 7.4): 812.11
Polar Surface Area: 138 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 435.1±5.0 cm3

Click to predict properties on the Chemicalize site


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