ChemSpider 2D Image | Methyl (5R)-2,3-di-O-benzyl-5-[(2S)-2-(methoxymethoxy)-3-{[(4-methylphenyl)sulfonyl]oxy}propyl]-alpha-D-xylopyranoside | C32H40O10S

Methyl (5R)-2,3-di-O-benzyl-5-[(2S)-2-(methoxymethoxy)-3-{[(4-methylphenyl)sulfonyl]oxy}propyl]-α-D-xylopyranoside

  • Molecular FormulaC32H40O10S
  • Average mass616.719 Da
  • Monoisotopic mass616.234192 Da
  • ChemSpider ID9105388

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-2,3-Di-O-benzyl-5-[(2S)-2-(méthoxyméthoxy)-3-{[(4-méthylphényl)sulfonyl]oxy}propyl]-α-D-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
D-glycero-α-D-gluco-Octopyranoside, methyl 6-deoxy-7-O-(methoxymethyl)-2,3-bis-O-(phenylmethyl)-, 8-(4-methylbenzenesulfonate) [ACD/Index Name]
Methyl (5R)-2,3-di-O-benzyl-5-[(2S)-2-(methoxymethoxy)-3-{[(4-methylphenyl)sulfonyl]oxy}propyl]-α-D-xylopyranoside [ACD/IUPAC Name]
Methyl-(5R)-2,3-di-O-benzyl-5-[(2S)-2-(methoxymethoxy)-3-{[(4-methylphenyl)sulfonyl]oxy}propyl]-α-D-xylopyranosid [German] [ACD/IUPAC 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: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7041.51
ACD/KOC (pH 5.5): 19758.33
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7041.49
ACD/KOC (pH 7.4): 19758.28
Polar Surface Area: 127 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 479.2±5.0 cm3

Click to predict properties on the Chemicalize site


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