ChemSpider 2D Image | [(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-3-Ethyl-8,10,12-trimethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl 6 -deoxy-2,3-di-O-methyl-beta-D-allopyranoside | C37H61NO12

[(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-3-Ethyl-8,10,12-trimethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl 6 -deoxy-2,3-di-O-methyl-β-D-allopyranoside

  • Molecular FormulaC37H61NO12
  • Average mass711.880 Da
  • Monoisotopic mass711.419373 Da
  • ChemSpider ID115284620

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

[(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-3-Ethyl-8,10,12-trimethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl 6 -deoxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-3-Ethyl-8,10,12-trimethyl-5,13-dioxo-9-{[3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl- 6-desoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione, 2-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-3-ethyl-8,10,12-trimethyl-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexop yranosyl]oxy]-, (1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)- [ACD/Index Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-3-éthyl-8,10,12-triméthyl-5,13-dioxo-9-{[3,4,6-tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranosyl]oxy}-4,17-di oxabicyclo[14.1.0]heptadéca-6,14-dién-2-yl]méthyle [French] [ACD/IUPAC Name]
(1S,2R,3R,6E,8S,9S,10S,12R,14Z,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
73665-15-3 [RN]
Mycinamicin I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 814.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.8±6.0 kJ/mol
Flash Point: 446.5±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 16.41
ACD/KOC (pH 7.4): 159.39
Polar Surface Area: 155 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 595.3±5.0 cm3

Click to predict properties on the Chemicalize site


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