ChemSpider 2D Image | (2S,4S,5R,6R,7S,8R)-5-Acetamido-2,4,6,7,8,9-hexahydroxynonanoic acid | C11H21NO9

(2S,4S,5R,6R,7S,8R)-5-Acetamido-2,4,6,7,8,9-hexahydroxynonanoic acid

  • Molecular FormulaC11H21NO9
  • Average mass311.286 Da
  • Monoisotopic mass311.121643 Da
  • ChemSpider ID59051593

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,4S,5R,6R,7S,8R)-5-Acetamido-2,4,6,7,8,9-hexahydroxynonanoic acid [ACD/IUPAC Name]
(2S,4S,5R,6R,7S,8R)-5-Acetamido-2,4,6,7,8,9-hexahydroxynonansäure [German] [ACD/IUPAC Name]
Acide (2S,4S,5R,6R,7S,8R)-5-acétamido-2,4,6,7,8,9-hexahydroxynonanoïque [French] [ACD/IUPAC Name]
D-erythro-L-gluco-Nononic acid, 5-(acetylamino)-3,5-dideoxy- [ACD/Index Name]
(2{s},4{s},5{r},6{r},7{s},8{r})-5-Acetamido-2,4,6,7,8,9-Hexakis(Oxidanyl)nonanoic Acid
RCJ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 831.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 456.6±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.76
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

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