Found 6 results

Search term: NCMJSVDTRDLWJE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-acetyl-2,7-anhydro-alpha-neuraminic acid | C11H17NO8

N-acetyl-2,7-anhydro-α-neuraminic acid

  • Molecular FormulaC11H17NO8
  • Average mass291.255 Da
  • Monoisotopic mass291.095428 Da
  • ChemSpider ID65322547

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2R,3S,5S)-7-[(1R)-1,2-Dihydroxyethyl]-3-hydroxy-2-[(Z)-(1-hydroxyethyliden)amino]-6,8-dioxabicyclo[3.2.1]octan-5-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(1R,2R,3S,5S)-7-[(1R)-1,2-Dihydroxyethyl]-3-hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (1R,2R,3S,5S)-7-[(1R)-1,2-dihydroxyéthyl]-3-hydroxy-2-[(Z)-(1-hydroxyéthylidène)amino]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
N-acetyl-2,7-anhydro-α-neuraminic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 679.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 364.4±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 59.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 76.4±7.0 dyne/cm
Molar Volume: 158.6±7.0 cm3

Click to predict properties on the Chemicalize site


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