ChemSpider 2D Image | Manninotriose | C18H32O16

Manninotriose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID4574400

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal
13382-86-0 [RN]
D-Glucose, O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->6)- [ACD/Index Name]
Manninotriose
α-D-Galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-D-glucose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-D-glucose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->6)-α-D-galactopyranosyl-(1->6)-D-glucose [French] [ACD/IUPAC Name]
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
D-Gal-α1->6D-Gal-α1->6D-Glucose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:31005 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 952.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.3±6.0 kJ/mol
Flash Point: 327.7±27.8 °C
Index of Refraction: 1.652
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 114.2±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


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