ChemSpider 2D Image | 5-AMINO-5-DEOXY-CELLOBIONO-1,5-LACTAM | C12H23NO10

5-AMINO-5-DEOXY-CELLOBIONO-1,5-LACTAM

  • Molecular FormulaC12H23NO10
  • Average mass341.312 Da
  • Monoisotopic mass341.132202 Da
  • ChemSpider ID26330199

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-3-piperidinyl β-L-glucopyranoside [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-3-piperidinyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
5-AMINO-5-DEOXY-CELLOBIONO-1,5-LACTAM
β-L-Glucopyranoside de (2S,3R,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxyméthyl)-3-pipéridinyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (2S,3R,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-piperidinyl [ACD/Index Name]
(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-5-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}piperidine-2,3,4-triol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±6.0 kJ/mol
Flash Point: 348.5±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -4.16
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 113.1±5.0 dyne/cm
Molar Volume: 195.1±5.0 cm3

Click to predict properties on the Chemicalize site


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