ChemSpider 2D Image | (3R,4S,5S,7R,9Z,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-(dimethylamino)-beta-D-xylo-hexopyranoside | C25H43NO8

(3R,4S,5S,7R,9Z,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-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC25H43NO8
  • Average mass485.611 Da
  • Monoisotopic mass485.298859 Da
  • ChemSpider ID58134374

  • 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,9Z,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-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3R,4S,5S,7R,9Z,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-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3R,4S,5S,7R,9Z,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]-, (3R,4S,5S,7R,9Z,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-(dimethylamino)-β-D-xylo-hexopyranoside
novamethymycin

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

Density: 1.2±0.1 g/cm3
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: 1.532
Molar Refractivity: 127.4±0.4 cm3
#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: 126 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

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