ChemSpider 2D Image | (6R,8S,9R,10R,12R,15S,15aS)-15-Ethyl-8-methoxy-3,4a,6,8,10,12,15a-heptamethyl-2,5,11,13-tetraoxohexadecahydro-2H-1,14-dioxa-3-azacyclotetradeca[1,2,3-cd]pentalen-9-yl 3,4,6-trideoxy-3-(dimethylamino)- beta-D-xylo-hexopyranoside | C34H56N2O10

(6R,8S,9R,10R,12R,15S,15aS)-15-Ethyl-8-methoxy-3,4a,6,8,10,12,15a-heptamethyl-2,5,11,13-tetraoxohexadecahydro-2H-1,14-dioxa-3-azacyclotetradeca[1,2,3-cd]pentalen-9-yl 3,4,6-trideoxy-3-(dimethylamino)- β-D-xylo-hexopyranoside

  • Molecular FormulaC34H56N2O10
  • Average mass652.816 Da
  • Monoisotopic mass652.393494 Da
  • ChemSpider ID8637357

  • defined stereocentres - 11 of 14 defined stereocentres

More details:

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

(6R,8S,9R,10R,12R,15S,15aS)-15-Ethyl-8-methoxy-3,4a,6,8,10,12,15a-heptamethyl-2,5,11,13-tetraoxohexadecahydro-2H-1,14-dioxa-3-azacyclotetradeca[1,2,3-cd]pentalen-9-yl 3,4,6-trideoxy-3-(dimethylamino)- ;β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(6R,8S,9R,10R,12R,15S,15aS)-15-Ethyl-8-methoxy-3,4a,6,8,10,12,15a-heptamethyl-2,5,11,13-tetraoxohexadecahydro-2H-1,14-dioxa-3-azacyclotetradeca[1,2,3-cd]pentalen-9-yl-3,4,6-tridesoxy-3-(dimethylamino) ;-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2H-1,14-Dioxa-3-azacyclotetradeca[cd]pentalene-2,5,11,13(2aH,6H,12H)-tetrone, 15-ethyldecahydro-8-methoxy-3,4a,6,8,10,12,15a-heptamethyl-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl] oxy]-, (6R,8S,9R,10R,12R,15S,15aS)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (6R,8S,9R,10R,12R,15S,15aS)-15-éthyl-8-méthoxy-3,4a,6,8,10,12,15a-heptaméthyl-2,5,11,13-tétraoxohexadécahydro-2H-1,14-dioxa-3-azacycloté tradéca[1,2,3-cd]pentalén-9-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: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.6±6.0 kJ/mol
Flash Point: 418.8±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 103.22
Polar Surface Area: 141 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 543.0±5.0 cm3

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