ChemSpider 2D Image | (4S,9R,10R,11S,13R,15S)-7-Allyl-4-ethyl-11-methoxy-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-trideoxy-3-(dimethylamino)-D-xylo-hex opyranoside | C34H56N2O10

(4S,9R,10R,11S,13R,15S)-7-Allyl-4-ethyl-11-methoxy-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-trideoxy-3-(dimethylamino)-D-xylo-hex opyranoside

  • Molecular FormulaC34H56N2O10
  • Average mass652.816 Da
  • Monoisotopic mass652.393494 Da
  • ChemSpider ID8465665

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(4S,9R,10R,11S,13R,15S)-7-Allyl-4-ethyl-11-methoxy-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-trideoxy-3-(dimethylamino)-D-xylo-hex opyranoside [ACD/IUPAC Name]
(4S,9R,10R,11S,13R,15S)-7-Allyl-4-ethyl-11-methoxy-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)-D-xylo-he xopyranosid [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-7-(2-propen-1-yl)-10-[[3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranosyl]oxy ]-, (4S,9R,10R,11S,13R,15S)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-D-xylo-hexopyranoside de (4S,9R,10R,11S,13R,15S)-7-allyl-4-éthyl-11-méthoxy-3a,7,9,11,13,15-hexaméthyl-2,6,8,14-tétraoxotétradécahydro-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: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 10.05
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 83.28
ACD/KOC (pH 7.4): 512.55
Polar Surface Area: 150 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 557.6±5.0 cm3

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