ChemSpider 2D Image | (3aR,7R,9S,10R,11R,13R,16S,16aS)-16-Ethyl-9-methoxy-4,7,9,11,13,16a-hexamethyl-2,6,12,14-tetraoxo-3-{[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino}hexadecahydro[1,3]oxazolo[5,4-c][1,6]oxazacyclopentadeci n-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C43H65N5O10S

(3aR,7R,9S,10R,11R,13R,16S,16aS)-16-Ethyl-9-methoxy-4,7,9,11,13,16a-hexamethyl-2,6,12,14-tetraoxo-3-{[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino}hexadecahydro[1,3]oxazolo[5,4-c][1,6]oxazacyclopentadeci n-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC43H65N5O10S
  • Average mass844.069 Da
  • Monoisotopic mass843.445190 Da
  • ChemSpider ID8388438

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3aR,7R,9S,10R,11R,13R,16S,16aS)-16-Ethyl-9-methoxy-4,7,9,11,13,16a-hexamethyl-2,6,12,14-tetraoxo-3-{[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino}hexadecahydro[1,3]oxazolo[5,4-c][1,6]oxazacyclopentadeci ;n-10-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3aR,7R,9S,10R,11R,13R,16S,16aS)-16-Ethyl-9-methoxy-4,7,9,11,13,16a-hexamethyl-2,6,12,14-tetraoxo-3-{[3-(2-phenyl-1,3-thiazol-5-yl)propyl]amino}hexadecahydro[1,3]oxazolo[5,4-c][1,6]oxazacyclopentadeci ;n-10-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3aR,7R,9S,10R,11R,13R,16S,16aS)-16-éthyl-9-méthoxy-4,7,9,11,13,16a-hexaméthyl-2,6,12,14-tétraoxo-3-{[3-(2-phényl-1,3-thiazol-5-yl)propy l]amino}hexadécahydro[1,3]oxazolo[5,4-c][1,6]oxazacyclopentadécin-10-yle [French] [ACD/IUPAC Name]
Oxazolo[5,4-c][1,6]oxaazacyclopentadecine-2,6,12,14(7H,13H)-tetrone, 16-ethyldecahydro-9-methoxy-4,7,9,11,13,16a-hexamethyl-3-[[3-(2-phenyl-5-thiazolyl)propyl]amino]-10-[[3,4,6-trideoxy-3-(dimethylami ;no)-β-D-xylo-hexopyranosyl]oxy]-, (3aR,7R,9S,10R,11R,13R,16S,16aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 224.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 5.63
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 287.37
ACD/KOC (pH 7.4): 1240.09
Polar Surface Area: 206 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 674.5±5.0 cm3

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