ChemSpider 2D Image | bacteriohopanetetrol glucosamine | C41H73NO8

bacteriohopanetetrol glucosamine

  • Molecular FormulaC41H73NO8
  • Average mass708.020 Da
  • Monoisotopic mass707.533630 Da
  • ChemSpider ID9379880

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4R,7R)-1-{[(2R,3R,4R,5S,6R)-3-Amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octanetriol [ACD/IUPAC Name]
(2S,3R,4R,7R)-1-{[(2R,3R,4R,5S,6R)-3-Amino-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexaméthylicosahydro-1H-cyclopenta [a]chrysén-3-yl]-2,3,4-octanetriol [French] [ACD/IUPAC Name]
(2S,3R,4R,7R)-1-{[(2R,3R,4R,5S,6R)-3-Amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octantriol [German] [ACD/IUPAC Name]
bacteriohopanetetrol glucosamine
β-D-Glucopyranoside, (2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-1H-cyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctyl 2-amino-2-deoxy- [ACD/Index Name]
(2S,3R,4R,7R)-1-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-2,3,4-triol (non-preferred name)
35-O-(β-D-glucosaminyl) bacteriohopane-32,33,34,35-tetrol
bacteriohopane-32,33,34,35-tetrol 35-β-D-glucosaminide
Bacteriohopanetetrol-glucosamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505546/
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 810.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.2±6.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 195.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 10.77
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 444.70
ACD/KOC (pH 5.5): 476.61
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 20241.00
ACD/KOC (pH 7.4): 21693.49
Polar Surface Area: 166 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 592.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement