ChemSpider 2D Image | (2S,3R,4S,5S)-6-(2-{[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethoxy)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid | C16H27NO11

(2S,3R,4S,5S)-6-(2-{[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethoxy)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

  • Molecular FormulaC16H27NO11
  • Average mass409.386 Da
  • Monoisotopic mass409.158417 Da
  • ChemSpider ID32864177

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3R,4S,5S)-6-(2-{[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethoxy)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid [ACD/IUPAC Name]
(2S,3R,4S,5S)-6-(2-{[(3aR,4S,6R,6aS)-6-Amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethoxy)-2,3,4,5-tetrahydroxy-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide (2S,3R,4S,5S)-6-(2-{[(3aR,4S,6R,6aS)-6-amino-2,2-diméthyltétrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}éthoxy)-2,3,4,5-tétrahydroxy-6-oxohexanoïque [French] [ACD/IUPAC Name]
D-Altraric acid, 6-[2-[[(3aR,4S,6R,6aS)-6-aminotetrahydro-2,2-dimethyl-4H-cyclopenta[d]-1,3-dioxol-4-yl]oxy]ethyl] ester [ACD/Index Name]
2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanoltataric acid
274693-55-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 666.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 357.0±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 268.9±5.0 cm3

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