ChemSpider 2D Image | (3xi)-1,5-Anhydro-3,6-di-O-benzyl-4-O-(6-O-benzyl-beta-D-galactopyranosyl)-2-deoxy-D-erythro-hex-1-enitol | C33H38O9

(3ξ)-1,5-Anhydro-3,6-di-O-benzyl-4-O-(6-O-benzyl-β-D-galactopyranosyl)-2-deoxy-D-erythro-hex-1-enitol

  • Molecular FormulaC33H38O9
  • Average mass578.649 Da
  • Monoisotopic mass578.251587 Da
  • ChemSpider ID9149096

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3ξ)-1,5-Anhydro-3,6-di-O-benzyl-4-O-(6-O-benzyl-β-D-galactopyranosyl)-2-deoxy-D-erythro-hex-1-enitol [ACD/IUPAC Name]
(3ξ)-1,5-Anhydro-3,6-di-O-benzyl-4-O-(6-O-benzyl-β-D-galactopyranosyl)-2-desoxy-D-erythro-hex-1-enitol [German] [ACD/IUPAC Name]
(3ξ)-1,5-Anhydro-3,6-di-O-benzyl-4-O-(6-O-benzyl-β-D-galactopyranosyl)-2-désoxy-D-érythro-hex-1-énitol [French] [ACD/IUPAC Name]
D-erythro-Hex-1-enitol, 1,5-anhydro-2-deoxy-3,6-bis-O-(phenylmethyl)-4-O-[6-O-(phenylmethyl)-β-D-galactopyranosyl]-, (3ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.1±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.26
ACD/KOC (pH 5.5): 2972.13
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.26
ACD/KOC (pH 7.4): 2972.10
Polar Surface Area: 116 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

Click to predict properties on the Chemicalize site


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