ChemSpider 2D Image | (2R,3S,4R,5R)-2-[(2S)-2-Amino-2-carboxyethyl]-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furancarboxylic acid (non-preferred name) | C11H19NO10

(2R,3S,4R,5R)-2-[(2S)-2-Amino-2-carboxyethyl]-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furancarboxylic acid (non-preferred name)

  • Molecular FormulaC11H19NO10
  • Average mass325.269 Da
  • Monoisotopic mass325.100891 Da
  • ChemSpider ID76774162

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2-[(2S)-2-Amino-2-carboxyethyl]-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furancarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-2-[(2S)-2-Amino-2-carboxyethyl]-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furancarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,3S,4R,5R)-2-[(2S)-2-amino-2-carboxyéthyl]-5-[(1R)-1,2-dihydroxyéthyl]-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanecarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
D-erythro-L-allo-Nononic acid, 2-amino-4,7-anhydro-4-C-carboxy-2,3-dideoxy-6-C-(hydroxymethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -5.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 114.9±3.0 dyne/cm
Molar Volume: 184.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement