ChemSpider 2D Image | (11E,13E)-6-({3,6-Dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxa cyclohexadeca-11,13-dien-4-yl acetate | C45H73NO15

(11E,13E)-6-({3,6-Dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxa cyclohexadeca-11,13-dien-4-yl acetate

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID4950727

  • Double-bond stereo - Double-bond stereo

More details:

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

(11E,13E)-6-({3,6-Dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxa cyclohexadeca-11,13-dien-4-yl acetate [ACD/IUPAC Name]
(11E,13E)-6-({3,6-Didesoxy-4-O-[2,6-didesoxy-3-C-methyl-4-O-(3-methylbutanoyl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)o xacyclohexadeca-11,13-dien-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (11E,13E)-6-({3,6-didésoxy-4-O-[2,6-didésoxy-3-C-méthyl-4-O-(3-méthylbutanoyl)hexopyranosyl]-3-(diméthylamino)hexopyranosyl}oxy)-16-éthyl-15-(hydroxyméthyl)-5,9,13-triméthyl-2,10-dioxo-7-(2 -oxoéthyl)oxacyclohexadéca-11,13-dién-4-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 4-(acetyloxy)-6-[[3,6-dideoxy-4-O-[2,6-dideoxy-3-C-methyl-4-O-(3-methyl-1-oxobutyl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl]oxy]-16-ethyl-15-(hydroxym ethyl)-5,9,13-trimethyl-2,10-dioxo-, (11E,13E)- [ACD/Index Name]
4'-(4''-Isovaleroylmycarosyl)mycaminosyltylonolide
74290-44-1 [RN]
Antibiotic N 1

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

BRN 4641946 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 915.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.1±6.0 kJ/mol
Flash Point: 507.4±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 225.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 33.40
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 163.99
ACD/KOC (pH 7.4): 1135.19
Polar Surface Area: 214 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 723.1±5.0 cm3

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