Found 1 result

Search term: 78437767 (Found by CSID)
ChemSpider 2D Image | Methyl (5R)-2,4-dideoxy-5-ethyl-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4-meth yl-alpha-D-threo-pentopyranoside | C35H58O9

Methyl (5R)-2,4-dideoxy-5-ethyl-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4-meth yl-α-D-threo-pentopyranoside

  • Molecular FormulaC35H58O9
  • Average mass622.830 Da
  • Monoisotopic mass622.408081 Da
  • ChemSpider ID78437767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5R)-2,4-Didésoxy-5-éthyl-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-diméthoxy-7,9,11,13-tétraméthyl-16-oxooxacyclohexadéca-4,6,12,14-tétraén-2-yl]-2-pentanyl}-4-méthyl-alp ha-D-thréo-pentopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5R)-2,4-dideoxy-5-ethyl-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4-meth ;yl-α-D-threo-pentopyranoside [ACD/IUPAC Name]
Methyl-(5R)-2,4-didesoxy-5-ethyl-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-4-met ;hyl-α-D-threo-pentopyranosid [German] [ACD/IUPAC Name]
α-D-threo-Pentopyranoside, methyl 2,4-dideoxy-5-C-ethyl-1-C-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4Z,9S,10S,11R,12Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetr aen-2-yl]-1-methylbutyl]-4-methyl-, (5R)- [ACD/Index Name]
24-Demethyl-bafilomycin A2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 225.5±26.4 °C
Index of Refraction: 1.527
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1204.74
ACD/KOC (pH 5.5): 5583.44
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1204.74
ACD/KOC (pH 7.4): 5583.44
Polar Surface Area: 124 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 560.4±5.0 cm3

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