ChemSpider 2D Image | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(quinolin-5-yl)prop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C42H59N3O10

(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(quinolin-5-yl)prop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC42H59N3O10
  • Average mass765.932 Da
  • Monoisotopic mass765.420044 Da
  • ChemSpider ID9236839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-11-{[(2E)-3-(5-Chinolinyl)-2-propen-1-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl-3,4, ;6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(5-quinolinyl)-2-propen-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4, ;6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-11-{[(2E)-3-(quinolin-5-yl)prop-2-en-1-yl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside
2H-Oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-3a,7,9,11,13,15-hexamethyl-11-[[(2E)-3-(5-quinolinyl)-2-propen-1-yl]oxy]-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D- xylo-hexopyranosyl]oxy]-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)- [ACD/Index Name]
2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-3a,7,9,11,13,15-hexamethyl-11-[[(2E)-3-(5-quinolinyl)-2-propen-1-yl]oxy]-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-éthyl-3a,7,9,11,13,15-hexaméthyl-2,6,8,14-tétraoxo-11-{[(2E)-3-(5-quinoléinyl)-2-propén-1-yl]oxy}t étradécahydro-2H-oxacyclotétradécino[4,3-d][1,3]oxazol-10-yle [French] [ACD/IUPAC Name]
10-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-ethyl-3a,7,9,11,13,15-hexamethyl-11-(3-quinolin-5-yl-allyloxy)-octahydro-3,5-dioxa-1-aza-cyclopentacyclotetradecene-2,6,8,14-tetraone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 928.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.6±3.0 kJ/mol
Flash Point: 515.6±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 206.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 10.73
ACD/KOC (pH 5.5): 36.98
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 631.36
ACD/KOC (pH 7.4): 2176.76
Polar Surface Area: 163 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 622.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement