ChemSpider 2D Image | 1,2,7,10,13-Pentahydroxy-9-oxo-5,20-epoxytax-11-en-4-yl acetate | C22H32O9

1,2,7,10,13-Pentahydroxy-9-oxo-5,20-epoxytax-11-en-4-yl acetate

  • Molecular FormulaC22H32O9
  • Average mass440.484 Da
  • Monoisotopic mass440.204620 Da
  • ChemSpider ID24785468

More details:

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

1,2,7,10,13-Pentahydroxy-9-oxo-5,20-epoxytax-11-en-4-yl acetate [ACD/IUPAC Name]
1,2,7,10,13-Pentahydroxy-9-oxo-5,20-epoxytax-11-en-4-yl-acetat [German] [ACD/IUPAC Name]
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11,12-pentahydroxy-4a,8,13,13-tetramethyl- [ACD/Index Name]
Acétate de 1,2,7,10,13-pentahydroxy-9-oxo-5,20-époxytax-11-én-4-yle [French] [ACD/IUPAC Name]
10-deacetyl-2-debenzoylbaccatin III

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

C11899 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 214.4±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.70
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.70
Polar Surface Area: 154 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

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