Found 24 results

Search term: MF = 'C_{34}H_{46}O_{15}'
ChemSpider 2D Image | (2alpha,5beta,7beta,9alpha,10beta,13alpha)-5,20-Epoxytax-11-ene-1,2,4,7,9,10,13-heptayl heptaacetate | C34H46O15

(2α,5β,7β,9α,10β,13α)-5,20-Epoxytax-11-ene-1,2,4,7,9,10,13-heptayl heptaacetate

  • Molecular FormulaC34H46O15
  • Average mass694.720 Da
  • Monoisotopic mass694.283691 Da
  • ChemSpider ID4474820

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,5β,7β,9α,10β,13α)-5,20-Epoxytax-11-en-1,2,4,7,9,10,13-heptayl-heptaacetat [German] [ACD/IUPAC Name]
(2α,5β,7β,9α,10β,13α)-5,20-Epoxytax-11-ene-1,2,4,7,9,10,13-heptayl heptaacetate [ACD/IUPAC Name]
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, heptaacetate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)- [ACD/Index Name]
Heptaacétate de (2α,5β,7β,9α,10β,13α)-5,20-époxytax-11-ène-1,2,4,7,9,10,13-heptayle [French] [ACD/IUPAC Name]
1β-Acetylbaccatin IV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 270.7±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 165.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 511.66
ACD/KOC (pH 5.5): 3024.78
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 511.66
ACD/KOC (pH 7.4): 3024.78
Polar Surface Area: 193 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 532.2±5.0 cm3

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