Found 13 results

Search term: MF = 'C_{21}H_{32}O_{14}'
ChemSpider 2D Image | (1aS,1bS,2S,5aR,6S,6aS)-6-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside | C21H32O14

(1aS,1bS,2S,5aR,6S,6aS)-6-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside

  • Molecular FormulaC21H32O14
  • Average mass508.470 Da
  • Monoisotopic mass508.179199 Da
  • ChemSpider ID8895757

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1aS,1bS,2S,5aR,6S,6aS)-6-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1aS,1bS,2S,5aR,6S,6aS)-6-[(6-Desoxy-α-L-mannopyranosyl)oxy]-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1aS,1bS,2S,5aR,6S,6aS)-6-[(6-désoxy-α-L-mannopyranosyl)oxy]-1a-(hydroxyméthyl)-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[(6-deoxy-α-L-mannopyranosyl)oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 791.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±6.0 kJ/mol
Flash Point: 432.7±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.56
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 97.9±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site


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