ChemSpider 2D Image | (3R,4S,5S,7R,9E,11S,12R)-11-Hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylammonio)-beta-D-xylo-hexopyranoside | C25H44NO8

(3R,4S,5S,7R,9E,11S,12R)-11-Hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranoside

  • Molecular FormulaC25H44NO8
  • Average mass486.618 Da
  • Monoisotopic mass486.306152 Da
  • ChemSpider ID30786285

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3R,4S,5S,7R,9E,11S,12R)-11-Hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3R,4S,5S,7R,9E,11S,12R)-11-Hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl-3,4,6-tridesoxy-3-(dimethylammonio)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylammonio)-β-D-xylo-hexopyranoside de (3R,4S,5S,7R,9E,11S,12R)-11-hydroxy-12-[(1R)-1-hydroxyéthyl]-3,5,7,11-tétraméthyl-2,8-dioxooxacyclododéc-9-én-4-yle [French] [ACD/IUPAC Name]
Oxacyclododec-9-ene-2,8-dione, 11-hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-4-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, conjugate acid, (3R,4S,5S,7R,9E,11S,12R)- [ACD/Index Name]
(3R,4S,5S,7R,9E,11R,12S)-11-hydroxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
novamethymycin
novamethymycin(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of novamethymycin, obtained by protonation of the tertiary amino group; major species at pH 7.3. ChEBI CHEBI:77354

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

Density:
Boiling Point: 661.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 27.95
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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