ChemSpider 2D Image | (1S,5R)-1,5-Anhydro-1-[(1S,2R)-1-(benzyloxy)-2-methyl-3-buten-1-yl]-3,4-dideoxy-5-(3-hydroxypropyl)-3,4-dimethyl-2-O-(2-naphthylmethyl)-D-xylitol | C33H42O4

(1S,5R)-1,5-Anhydro-1-[(1S,2R)-1-(benzyloxy)-2-methyl-3-buten-1-yl]-3,4-dideoxy-5-(3-hydroxypropyl)-3,4-dimethyl-2-O-(2-naphthylmethyl)-D-xylitol

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID9722653

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,5R)-1,5-Anhydro-1-[(1S,2R)-1-(benzyloxy)-2-methyl-3-buten-1-yl]-3,4-dideoxy-5-(3-hydroxypropyl)-3,4-dimethyl-2-O-(2-naphthylmethyl)-D-xylitol [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-1-[(1S,2R)-1-(benzyloxy)-2-methyl-3-buten-1-yl]-3,4-didesoxy-5-(3-hydroxypropyl)-3,4-dimethyl-2-O-(2-naphthylmethyl)-D-xylitol [German] [ACD/IUPAC Name]
(1S,5R)-1,5-Anhydro-1-[(1S,2R)-1-(benzyloxy)-2-méthyl-3-butén-1-yl]-3,4-didésoxy-5-(3-hydroxypropyl)-3,4-diméthyl-2-O-(2-naphtylméthyl)-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 1,5-anhydro-3,4-dideoxy-5-C-(3-hydroxypropyl)-3,4-dimethyl-1-C-[(1S,2R)-2-methyl-1-(phenylmethoxy)-3-buten-1-yl]-2-O-(2-naphthalenylmethyl)-, (1S,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 312035.88
ACD/KOC (pH 5.5): 298074.75
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 312035.88
ACD/KOC (pH 7.4): 298074.75
Polar Surface Area: 48 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 455.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement