ChemSpider 2D Image | 2-({(1R,2S,3R,4R)-2-Hydroxy-4-[(Z)-(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]oct-3-yl}oxy)propanoic acid (non-preferred name) | C11H17NO7

2-({(1R,2S,3R,4R)-2-Hydroxy-4-[(Z)-(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]oct-3-yl}oxy)propanoic acid (non-preferred name)

  • Molecular FormulaC11H17NO7
  • Average mass275.255 Da
  • Monoisotopic mass275.100494 Da
  • ChemSpider ID59695433

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2-({(1R,2S,3R,4R)-2-Hydroxy-4-[(Z)-(1-hydroxyethyliden)amino]-6,8-dioxabicyclo[3.2.1]oct-3-yl}oxy)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
2-({(1R,2S,3R,4R)-2-Hydroxy-4-[(Z)-(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]oct-3-yl}oxy)propanoic acid (non-preferred name) [ACD/IUPAC Name]
Acide 2-({(1R,2S,3R,4R)-2-hydroxy-4-[(Z)-(1-hydroxyéthylidène)amino]-6,8-dioxabicyclo[3.2.1]oct-3-yl}oxy)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
1,6-anhMurNAc
1,6-Anhydro-N-acetylmuramate
1,6-anhydro-N-acetylmuramic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 575.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 301.7±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 58.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 164.3±7.0 cm3

Click to predict properties on the Chemicalize site


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