ChemSpider 2D Image | (2S)-2-Isopropyl-1-[2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-beta-D-allopyranosyl]-4-piperidinone | C34H57NO10

(2S)-2-Isopropyl-1-[2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-allopyranosyl]-4-piperidinone

  • Molecular FormulaC34H57NO10
  • Average mass639.817 Da
  • Monoisotopic mass639.398254 Da
  • ChemSpider ID555567

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-Isopropyl-1-[2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-allopyranosyl]-4-piperidinon [German] [ACD/IUPAC Name]
(2S)-2-Isopropyl-1-[2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-allopyranosyl]-4-piperidinone [ACD/IUPAC Name]
(2S)-2-Isopropyl-1-[2,3,4,6-tétrakis-O-(2,2-diméthylpropanoyl)-β-D-allopyranosyl]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 2-(1-methylethyl)-1-[2,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-β-D-allopyranosyl]-, (2S)- [ACD/Index Name]
2-Isopropyl-1-[2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)hexopyranosyl]piperidin-4-one
4-piperidinone, 2-(1-methylethyl)-1-[2,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)hexopyranosyl]-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.501
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51906.23
ACD/KOC (pH 5.5): 82347.49
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52358.99
ACD/KOC (pH 7.4): 83065.78
Polar Surface Area: 135 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 571.9±5.0 cm3

Click to predict properties on the Chemicalize site


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