ChemSpider 2D Image | Methyl 2-deoxy-3-O-(4-deoxy-4-methyl-alpha-L-idopyranuronosyl)-2-[(Z)-(1-hydroxyethylidene)amino]-beta-D-galactopyranoside | C16H27NO11

Methyl 2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-2-[(Z)-(1-hydroxyethylidene)amino]-β-D-galactopyranoside

  • Molecular FormulaC16H27NO11
  • Average mass409.386 Da
  • Monoisotopic mass409.158417 Da
  • ChemSpider ID35031757

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Désoxy-3-O-(4-désoxy-4-méthyl-α-L-idopyranuronosyl)-2-[(Z)-(1-hydroxyéthylidène)amino]-β-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-2-[(Z)-(1-hydroxyethylidene)amino]-β-D-galactopyranoside [ACD/IUPAC Name]
Methyl-2-desoxy-3-O-(4-desoxy-4-methyl-α-L-idopyranuronosyl)-2-[(Z)-(1-hydroxyethyliden)amino]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
β-D-Galactopyranoside, methyl 2-deoxy-3-O-(4-deoxy-4-methyl-α-L-idopyranuronosyl)-2-[[(1Z)-1-hydroxyethylidene]amino]- [ACD/Index Name]
(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methyloxane-2-carboxylic acid
dermatan L-iduronate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 718.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 388.3±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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