ChemSpider 2D Image | (6S)-2,6-Anhydro-6-methyl-3-O-(4-O-methyl-beta-D-mannopyranuronosyl)-D-allonic acid | C14H22O12

(6S)-2,6-Anhydro-6-methyl-3-O-(4-O-methyl-β-D-mannopyranuronosyl)-D-allonic acid

  • Molecular FormulaC14H22O12
  • Average mass382.317 Da
  • Monoisotopic mass382.111115 Da
  • ChemSpider ID21111824

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(6S)-2,6-Anhydro-6-methyl-3-O-(4-O-methyl-β-D-mannopyranuronosyl)-D-allonic acid [ACD/IUPAC Name]
(6S)-2,6-Anhydro-6-methyl-3-O-(4-O-methyl-β-D-mannopyranuronosyl)-D-allonsäure [German] [ACD/IUPAC Name]
2,6-Anhydro-7-deoxy-3-O-(4-O-methyl-β-D-mannopyranuronosyl)-L-glycero-D-allo-heptonic acid
2,6-anhydro-7-deoxy-3-O-(4-O-methyl-β-D-mannopyranuronosyl)-L-glycero-D-gluco-heptonic acid
Acide (6S)-2,6-anhydro-6-méthyl-3-O-(4-O-méthyl-β-D-mannopyranuronosyl)-D-allonique [French] [ACD/IUPAC Name]
L-glycero-D-allo-Heptonic acid, 2,6-anhydro-7-deoxy-3-O-(4-O-methyl-β-D-mannopyranuronosyl)- [ACD/Index Name]
L-glycero-D-gluco-heptonic acid, 2,6-anhydro-7-deoxy-3-O-(4-O-methyl-β-D-mannopyranuronosyl)- [ACD/Index Name]
[9005-32-7] [RN]
9005-32-7 [RN]
MFCD00081309 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 263.6±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -6.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 86.6±5.0 dyne/cm
Molar Volume: 231.2±5.0 cm3

Click to predict properties on the Chemicalize site


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