ChemSpider 2D Image | (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-11-(Allyloxy)-4-ethyl-1,3a,7,9,11,13,15-heptamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)- beta-D-xylo-hexopyranoside | C34H56N2O10

(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-11-(Allyloxy)-4-ethyl-1,3a,7,9,11,13,15-heptamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)- β-D-xylo-hexopyranoside

  • Molecular FormulaC34H56N2O10
  • Average mass652.816 Da
  • Monoisotopic mass652.393494 Da
  • ChemSpider ID9203876

  • 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-(Allyloxy)-4-ethyl-1,3a,7,9,11,13,15-heptamethyl-2,6,8,14-tetraoxotetradecahydro-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)-11-(Allyloxy)-4-ethyl-1,3a,7,9,11,13,15-heptamethyl-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-1,3a,7,9,11,13,15-heptamethyl-2,6,8,14-tetraoxo-11-(prop-2-en-1-yloxy)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-1,3a,7,9,11,13,15-heptamethyl-11-(2-propen-1-yloxy)-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]ox y]-, (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-1,3a,7,9,11,13,15-heptamethyl-11-(2-propen-1-yloxy)-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)-11-(allyloxy)-4-éthyl-1,3a,7,9,11,13,15-heptaméthyl-2,6,8,14-tétraoxotétradécahydro-2H-oxacyclotétra décino[4,3-d][1,3]oxazol-10-yle [French] [ACD/IUPAC Name]
11-Allyloxy-10-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-ethyl-1,3a,7,9,11,13,15-heptamethyl-octahydro-3,5-dioxa-1-aza-cyclopentacyclotetradecene-2,6,8,14-tetraone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL337611/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 7.51
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 55.66
ACD/KOC (pH 7.4): 382.91
Polar Surface Area: 141 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 556.7±5.0 cm3

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