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

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

  • Molecular FormulaC33H57N3O9
  • Average mass639.820 Da
  • Monoisotopic mass639.409485 Da
  • ChemSpider ID9247456

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,2R,4R,5R,6R,8R,11S,12S,19S,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-5-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hex
 opyranoside [ACD/IUPAC Name]
(1S,2R,4R,5R,6R,8R,11S,12S,19S,20R)-11-Ethyl-4-methoxy-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-5-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-he
 xopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (1S,2R,4R,5R,6R,8R,11S,12S,19S,20R)-11-éthyl-4-méthoxy-2,4,6,8,12,19-hexaméthyl-7,9,14-trioxo-10,13-dioxa-15,18-diazatricyclo[10.6.2.01 5,20]icos-5-yle [French] [ACD/IUPAC Name]
4H-14,1-(Iminoethano)-2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8(3aH,7H)-trione, 4-ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl] oxy]-, (3aS,4S,7R,9R,10R,11R,13R,14S,15S,15aR)- [ACD/Index 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: 773.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 421.8±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 136 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 537.8±5.0 cm3

Click to predict properties on the Chemicalize site


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