ChemSpider 2D Image | (2R,3R,4R,5R)-N-{(3S,5S)-5-[(Allyloxy)methyl]tetrahydro-3-furanyl}-N'-{(5S)-5-[(allyloxy)methyl]tetrahydro-3-furanyl}-2,5-bis(benzyloxy)-3,4-dihydroxyhexanediamide | C36H48N2O10

(2R,3R,4R,5R)-N-{(3S,5S)-5-[(Allyloxy)methyl]tetrahydro-3-furanyl}-N'-{(5S)-5-[(allyloxy)methyl]tetrahydro-3-furanyl}-2,5-bis(benzyloxy)-3,4-dihydroxyhexanediamide

  • Molecular FormulaC36H48N2O10
  • Average mass668.774 Da
  • Monoisotopic mass668.330872 Da
  • ChemSpider ID439910

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R,3R,4R,5R)-N-{(3S,5S)-5-[(Allyloxy)methyl]tetrahydro-3-furanyl}-N'-{(5S)-5-[(allyloxy)methyl]tetrahydro-3-furanyl}-2,5-bis(benzyloxy)-3,4-dihydroxyhexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-N-{(3S,5S)-5-[(Allyloxy)methyl]tetrahydro-3-furanyl}-N'-{(5S)-5-[(allyloxy)methyl]tetrahydro-3-furanyl}-2,5-bis(benzyloxy)-3,4-dihydroxyhexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-N-{(3S,5S)-5-[(Allyloxy)méthyl]tétrahydro-3-furanyl}-N'-{(5S)-5-[(allyloxy)méthyl]tétrahydro-3-furanyl}-2,5-bis(benzyloxy)-3,4-dihydroxyhexanediamide [French] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid bis-[((3S,5S)-5-allyloxymethyl-tetrahydro-furan-3-yl)-amide]

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

AIDS166163 [DBID]
AIDS-166163 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 882.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.7±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 178.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 184.26
ACD/KOC (pH 5.5): 1456.15
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 184.26
ACD/KOC (pH 7.4): 1456.14
Polar Surface Area: 154 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 535.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement