ChemSpider 2D Image | (3aS,4R,7R,9R,10R,11R,13R,15R,15aS)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(2-pyrazinyl)-1,3-thiazol-2-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol -10-yl 3,4,6-trideoxy-3-[ethyl(methyl)amino]-beta-D-xylo-hexopyranoside | C43H65N5O10S

(3aS,4R,7R,9R,10R,11R,13R,15R,15aS)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(2-pyrazinyl)-1,3-thiazol-2-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol -10-yl 3,4,6-trideoxy-3-[ethyl(methyl)amino]-β-D-xylo-hexopyranoside

  • Molecular FormulaC43H65N5O10S
  • Average mass844.069 Da
  • Monoisotopic mass843.445190 Da
  • ChemSpider ID20568799

  • 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,15aS)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(2-pyrazinyl)-1,3-thiazol-2-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol ;-10-yl 3,4,6-trideoxy-3-[ethyl(methyl)amino]-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3aS,4R,7R,9R,10R,11R,13R,15R,15aS)-4-Ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(2-pyrazinyl)-1,3-thiazol-2-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol ;-10-yl-3,4,6-tridesoxy-3-[ethyl(methyl)amino]-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2H-Oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-[4-(2-pyrazinyl)-2-thiazolyl]butyl]-10-[[3,4,6-trideoxy-3-(ethylmethylamino ;)-β-D-xylo-hexopyranosyl]oxy]-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aS)- [ACD/Index Name]
3,4,6-Tridésoxy-3-[éthyl(méthyl)amino]-β-D-xylo-hexopyranoside de (3aS,4R,7R,9R,10R,11R,13R,15R,15aS)-4-éthyl-11-méthoxy-3a,7,9,11,13,15-hexaméthyl-2,6,8,14-tétraoxo-1-{4-[4-(2-pyrazinyl)-1,3-thiaz ol-2-yl]butyl}tétradécahydro-2H-oxacyclotétradécino[4,3-d][1,3]oxazol-10-yle [French] [ACD/IUPAC 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: 947.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.6±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 221.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 26.23
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 340.04
ACD/KOC (pH 7.4): 1307.46
Polar Surface Area: 208 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 677.6±5.0 cm3

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