Found 9 results

Search term: PXDYILJJHOVNLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-6-(~2~H_3_)methyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hex opyranoside | C30H55D3N2O9

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-6-(2H3)methyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hex opyranoside

  • Molecular FormulaC30H55D3N2O9
  • Average mass593.808 Da
  • Monoisotopic mass593.433044 Da
  • ChemSpider ID76920310

  • defined stereocentres - 14 of 14 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-6-(2H3)methyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hex
 opyranoside [ACD/IUPAC Name]
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-6-(2H3)methyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-he
 xopyranosid [German] [ACD/IUPAC Name]
1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-6-(methyl-d3)-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,1
 1R,12S,13S,14R)- [ACD/Index Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-éthyl-3,4,10,13-tétrahydroxy-3,5,8,10,12,14-hexaméthyl-6-(2H3)méthyl-15-oxo-1-oxa-6-azacyclop 
entadécan-11-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: 727.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 393.7±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.41
Polar Surface Area: 152 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 503.4±5.0 cm3

Click to predict properties on the Chemicalize site


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