ChemSpider 2D Image | (2S,3R,6S)-2-{(3E,7E)-10-[(2S,3R,6S)-3-[(2-Acetamido-2-deoxy-6-O-methyl-alpha-D-glucopyranosyl)oxy]-6-(2-hydroxy-2-propanyl)-3-methyltetrahydro-2H-pyran-2-yl]-3,8-dimethyl-3,7-decadien-1-yl}-6-(2-hydr oxy-2-propanyl)-3-methyltetrahydro-2H-pyran-3-yl 2-acetamido-2-deoxy-6-O-methyl-alpha-D-glucopyranoside | C48H84N2O16

(2S,3R,6S)-2-{(3E,7E)-10-[(2S,3R,6S)-3-[(2-Acetamido-2-deoxy-6-O-methyl-α-D-glucopyranosyl)oxy]-6-(2-hydroxy-2-propanyl)-3-methyltetrahydro-2H-pyran-2-yl]-3,8-dimethyl-3,7-decadien-1-yl}-6-(2-hydr oxy-2-propanyl)-3-methyltetrahydro-2H-pyran-3-yl 2-acetamido-2-deoxy-6-O-methyl-α-D-glucopyranoside

  • Molecular FormulaC48H84N2O16
  • Average mass945.184 Da
  • Monoisotopic mass944.582092 Da
  • ChemSpider ID44210963

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,3R,6S)-2-{(3E,7E)-10-[(2S,3R,6S)-3-[(2-Acetamido-2-deoxy-6-O-methyl-α-D-glucopyranosyl)oxy]-6-(2-hydroxy-2-propanyl)-3-methyltetrahydro-2H-pyran-2-yl]-3,8-dimethyl-3,7-decadien-1-yl}-6-(2-hydr oxy-2-propanyl)-3-methyltetrahydro-2H-pyran-3-yl 2-acetamido-2-deoxy-6-O-methyl-α-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R,6S)-2-{(3E,7E)-10-[(2S,3R,6S)-3-[(2-Acetamido-2-desoxy-6-O-methyl-α-D-glucopyranosyl)oxy]-6-(2-hydroxy-2-propanyl)-3-methyltetrahydro-2H-pyran-2-yl]-3,8-dimethyl-3,7-decadien-1-yl}-6-(2-hyd roxy-2-propanyl)-3-methyltetrahydro-2H-pyran-3-yl-2-acetamido-2-desoxy-6-O-methyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-6-O-méthyl-α-D-glucopyranoside de (2S,3R,6S)-2-{(3E,7E)-10-[(2S,3R,6S)-3-[(2-acétamido-2-désoxy-6-O-méthyl-α-D-glucopyranosyl)oxy]-6-(2-hydroxy-2-propanyl)-3-méthyltétrahy dro-2H-pyran-2-yl]-3,8-diméthyl-3,7-décadién-1-yl}-6-(2-hydroxy-2-propanyl)-3-méthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (2S,3R,6S)-2-[(3E,7E)-10-[(2S,3R,6S)-3-[[2-(acetylamino)-2-deoxy-6-O-methyl-α-D-glucopyranosyl]oxy]tetrahydro-6-(1-hydroxy-1-methylethyl)-3-methyl-2H-pyran-2-yl]-3,8-dimet hyl-3,7-decadien-1-yl]tetrahydro-6-(1-hydroxy-1-methylethyl)-3-methyl-2H-pyran-3-yl 2-(acetylamino)-2-deoxy-6-O-methyl- [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: 1031.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.7±6.0 kJ/mol
Flash Point: 577.6±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 245.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.45
ACD/KOC (pH 5.5): 1955.58
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.45
ACD/KOC (pH 7.4): 1955.56
Polar Surface Area: 253 Å2
Polarizability: 97.5±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 767.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement