ChemSpider 2D Image | MFCD01310886 | C30H52O26

MFCD01310886

  • Molecular FormulaC30H52O26
  • Average mass828.718 Da
  • Monoisotopic mass828.274658 Da
  • ChemSpider ID28296100

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

112828-69-0 [RN]
3α,6α-Mannopentaose
a1-3[a1-6]a1-6[a1-3]Mannopentaose
D-Mannose, O-α-D-mannopyranosyl-(1->;3)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]- [ACD/Index Name]
MFCD01310886
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-D-mannose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-D-mannose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-D-mannose [French] [ACD/IUPAC Name]
α-Man-(1->3)(α-Man-[1->6])-α-Man-(1->6)(α-Man-[1->3])-Man
(2S,3S,4R,5R)-6-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,4,5-trihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1268.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 213.6±6.0 kJ/mol
Flash Point: 389.9±27.8 °C
Index of Refraction: 1.683
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -7.64
ACD/LogD (pH 5.5): -7.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 435 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 126.0±5.0 dyne/cm
Molar Volume: 455.4±5.0 cm3

Click to predict properties on the Chemicalize site


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