ChemSpider 2D Image | 1,3-a-1,6-a-D-Mannotriose | C18H32O16

1,3-a-1,6-a-D-Mannotriose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID23107150
  • defined stereocentres - 14 of 15 defined stereocentres


More details:






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

1,3-a-1,6-a-D-Mannotriose
121123-33-9 [RN]
D-Mannopyranose, O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->;6)]- [ACD/Index Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-D-mannopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-D-mannopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-D-mannopyranose [French] [ACD/IUPAC Name]
α-D-Manp-(1->3)-[α-D-Manp-(1->6)]-D-Manp
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S)-3,5,6-trihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
?-D-Mannopyranosyl-(1->2)-[?-D-mannopyranosyl-(1->3)]-D-mannose
?-D-Mannopyranosyl-(1->3)-[?-D-mannopyranosyl-(1->6)]-D-mannopyranose
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 879.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.6±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -5.70
ACD/LogD (pH 5.5): -5.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 119.2±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

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