ChemSpider 2D Image | (1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-propyn-1-yl)-D-glucitol | C30H32O5

(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-propyn-1-yl)-D-glucitol

  • Molecular FormulaC30H32O5
  • Average mass472.572 Da
  • Monoisotopic mass472.224976 Da
  • ChemSpider ID23273892

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-propin-1-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-propyn-1-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-propyn-1-yl)-D-glucitol [French] [ACD/IUPAC Name]
273925-99-8 [RN]
4,8-Anhydro-1,2,3-trideoxy-6,7,9-tris-O-(phenylmethyl)-D-glycero-D-gulo-non-1-ynitol
4,8-anhydro-6,7,9-tri-O-benzyl-1,2,3-trideoxy-D-glycero-D-gulo-non-1-ynitol
D-glycero-D-gulo-Non-1-ynitol, 4,8-anhydro-1,2,3-trideoxy-6,7,9-tris-O-(phenylmethyl)- [ACD/Index Name]
(2S,3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-(benzyloxymethyl)-2-(prop-2-ynyl)-tetrahydro-2H-pyran-3-ol
(2S,3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(prop-2-yn-1-yl)oxan-3-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.0±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22472.59
ACD/KOC (pH 5.5): 45341.82
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22472.54
ACD/KOC (pH 7.4): 45341.71
Polar Surface Area: 57 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

Click to predict properties on the Chemicalize site


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