Found 12 results

Search term: MF = 'C_{47}H_{67}NO_{12}'
ChemSpider 2D Image | (4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-[(Benzyloxy)methoxy]-15-{[(benzyloxy)methoxy]methyl}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino )-beta-D-glucopyranoside | C47H67NO12

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-[(Benzyloxy)methoxy]-15-{[(benzyloxy)methoxy]methyl}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino )-β-D-glucopyranoside

  • Molecular FormulaC47H67NO12
  • Average mass838.034 Da
  • Monoisotopic mass837.466309 Da
  • ChemSpider ID8394645

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-[(Benzyloxy)methoxy]-15-{[(benzyloxy)methoxy]methyl}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino ;)-β-D-glucopyranoside [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-[(Benzyloxy)methoxy]-15-{[(benzyloxy)methoxy]methyl}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl-3,6-didesoxy-3-(dimethylamin ;o)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-β-D-glucopyranoside de (4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-[(benzyloxy)méthoxy]-15-{[(benzyloxy)méthoxy]méthyl}-16-éthyl-5,9,13-triméthyl-2,10-dioxo-7-(2-oxoéthyl)oxac yclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 6-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-16-ethyl-5,9,13-trimethyl-2,10-dioxo-4-[(phenylmethoxy)methoxy]-15-[[(phenylmethoxy)methoxy]me thyl]-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 904.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 500.6±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 228.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 217.11
ACD/KOC (pH 5.5): 471.52
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 8424.29
ACD/KOC (pH 7.4): 18296.41
Polar Surface Area: 160 Å2
Polarizability: 90.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 704.2±5.0 cm3

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