ChemSpider 2D Image | (2R,4R,5R,6S,7S,8R,11S,12S,19R,20R)-11-Ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-9,14-dioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.0~15,20~]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino)
-beta-D-xylo-hexopyranoside | C33H57N3O9

(2R,4R,5R,6S,7S,8R,11S,12S,19R,20R)-11-Ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-9,14-dioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino) -β-D-xylo-hexopyranoside

  • Molecular FormulaC33H57N3O9
  • Average mass639.820 Da
  • Monoisotopic mass639.409485 Da
  • ChemSpider ID9290032
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(2R,4R,5R,6S,7S,8R,11S,12S,19R,20R)-11-Ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-9,14-dioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl 3,4,6-trideoxy-3-(dimethylamino) -β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(2R,4R,5R,6S,7S,8R,11S,12S,19R,20R)-11-Ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-9,14-dioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-yl-3,4,6-tridesoxy-3-(dimethylamino )-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
14,1-(Nitriloethano)-2H-oxacyclotetradecino[4,3-d]oxazole-2,6(7H)-dione, 4-ethyl-3a,4,8,9,10,11,12,13,15,15a-decahydro-8-hydroxy-11-methoxy-3a,7,9,11,13,15-hexamethyl-10-[[3,4,6-trideoxy-3-(dimethylam ;ino)-β-D-xylo-hexopyranosyl]oxy]-, (3aS,4S,7R,8S,9S,10R,11R,13R,15R,15aR)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (2R,4R,5R,6S,7S,8R,11S,12S,19R,20R)-11-éthyl-7-hydroxy-4-méthoxy-2,4,6,8,12,19-hexaméthyl-9,14-dioxo-10,13-dioxa-15,18-diazatricyclo[10. 6.2.015,20]icos-1(18)-én-5-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 775.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.7±6.0 kJ/mol
Flash Point: 422.9±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 57.15
ACD/KOC (pH 7.4): 277.54
Polar Surface Area: 140 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 497.7±7.0 cm3

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