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Search term: demethyllactenocin (Found by approved synonym)
ChemSpider 2D Image | Demethyllactenocin | C37H61NO14

Demethyllactenocin

  • Molecular FormulaC37H61NO14
  • Average mass743.878 Da
  • Monoisotopic mass743.409180 Da
  • ChemSpider ID65322913

  • 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

[(2R,3R,4Z,9R,11R,12S,13S,14R)-12-{[3,6-Dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy -β-D-allopyranoside [ACD/IUPAC Name]
[(2R,3R,4Z,9R,11R,12S,13S,14R)-12-{[3,6-Didesoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl-6-deso xy-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-allopyranoside de [(2R,3R,4Z,9R,11R,12S,13S,14R)-12-{[3,6-didésoxy-3-(diméthylamino)-β-D-glucopyranosyl]oxy}-2-éthyl-14-hydroxy-5,9,13-triméthyl-8,16-dioxo-11-(2-oxoéthyl)oxacyclohe xadéca-4,6-dién-3-yl]méthyle [French] [ACD/IUPAC Name]
Demethyllactenocin
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 15-[[(6-deoxy-β-D-allopyranosyl)oxy]methyl]-6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo- , (4R,5S,6S,7R,9R,13Z,15R,16R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 912.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.7±6.0 kJ/mol
Flash Point: 505.8±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.77
Polar Surface Area: 222 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 581.8±5.0 cm3

Click to predict properties on the Chemicalize site


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