ChemSpider 2D Image | (11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C30H51NO8

(11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC30H51NO8
  • Average mass553.728 Da
  • Monoisotopic mass553.361450 Da
  • ChemSpider ID4953091
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 11 defined stereocentres


More details:






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

(11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-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 (11E,13Z)-16-éthyl-4-hydroxy-15-(hydroxyméthyl)-5,7,9,13-tétraméthyl-2,10-dioxooxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-2,10-dione, 16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (11E,13Z)- [ACD/Index Name]
19-Deformyl-5-O-desosaminyl tylonide
19-Dfdat
86131-94-4 [RN]
Cirramycin A1, 12,13-deepoxy-12,13-didehydro-6-de(2-oxoethyl)-4'-deoxy-23-hydroxy-6-methyl-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 150.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 102.60
Polar Surface Area: 126 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 484.6±5.0 cm3

Click to predict properties on the Chemicalize site






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