ChemSpider 2D Image | (2E,8E,10E,12E,14E)-16-[(3-Amino-3,6-dideoxy-beta-D-glycero-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaene-19-carboxylic acid | C33H47NO13

(2E,8E,10E,12E,14E)-16-[(3-Amino-3,6-dideoxy-β-D-glycero-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaene-19-carboxylic acid

  • Molecular FormulaC33H47NO13
  • Average mass665.725 Da
  • Monoisotopic mass665.304749 Da
  • ChemSpider ID17472495

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 13 defined stereocentres

More details:

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

(2E,8E,10E,12E,14E)-16-[(3-Amino-3,6-dideoxy-β-D-glycero-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaene-19-carboxylic acid [ACD/IUPAC Name]
(2E,8E,10E,12E,14E)-16-[(3-Amino-3,6-didesoxy-β-D-glycero-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaen-19-carbonsäure [German] [ACD/IUPAC Name]
5,27-Dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaene-19-carboxylic acid, 16-[(3-amino-3,6-dideoxy-β-D-glycero-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-methyl-4,22-dioxo-, (2E,8E,10E,12E,14E)- [ACD/Index Name]
Acide (2E,8E,10E,12E,14E)-16-[(3-amino-3,6-didésoxy-β-D-glycéro-hexopyranosyl)oxy]-18,20,24-trihydroxy-6-méthyl-4,22-dioxo-5,27-dioxabicyclo[24.1.0]heptacosa-2,8,10,12,14-pentaène-19-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 966.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.6±6.0 kJ/mol
Flash Point: 538.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 486.6±5.0 cm3

Click to predict properties on the Chemicalize site


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