Found 24 results

Search term: MF = 'C_{36}H_{49}NO_{9}'
ChemSpider 2D Image | (2alpha,5alpha,9alpha,10beta,13alpha)-2,10,13-Triacetoxy-9-hydroxytaxa-4(20),11-dien-5-yl (3R)-3-(methylamino)-3-phenylpropanoate | C36H49NO9

(2α,5α,9α,10β,13α)-2,10,13-Triacetoxy-9-hydroxytaxa-4(20),11-dien-5-yl (3R)-3-(methylamino)-3-phenylpropanoate

  • Molecular FormulaC36H49NO9
  • Average mass639.776 Da
  • Monoisotopic mass639.340759 Da
  • ChemSpider ID9300217

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5α,9α,10β,13α)-2,10,13-Triacetoxy-9-hydroxytaxa-4(20),11-dien-5-yl (3R)-3-(methylamino)-3-phenylpropanoate [ACD/IUPAC Name]
(2α,5α,9α,10β,13α)-2,10,13-Triacetoxy-9-hydroxytaxa-4(20),11-dien-5-yl-(3R)-3-(methylamino)-3-phenylpropanoat [German] [ACD/IUPAC Name]
(3R)-3-(Méthylamino)-3-phénylpropanoate de (2α,5α,9α,10β,13α)-2,10,13-triacétoxy-9-hydroxytaxa-4(20),11-dién-5-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(methylamino)-, (3S,4aR,5R,6R,8S,11R,12R,12aR)-5,8,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-12-hydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobe nzocyclodecen-3-yl ester, (βR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 171.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 11.94
ACD/KOC (pH 5.5): 35.03
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 524.95
ACD/KOC (pH 7.4): 1540.81
Polar Surface Area: 137 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 530.7±5.0 cm3

Click to predict properties on the Chemicalize site


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