Found 1 result

Search term: DPMZCIRBUMLZIZ-BKAOIQCJSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hy
droxymethyl)-2-cyclohexen-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose | C44H74N2O30

4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hy droxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose

  • Molecular FormulaC44H74N2O30
  • Average mass1111.054 Da
  • Monoisotopic mass1110.432617 Da
  • ChemSpider ID4450701
  • defined stereocentres - 33 of 33 defined stereocentres


More details:






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4,6-Dideoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hy droxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
4,6-Didesoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(4,6-didesoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-( hydroxymethyl)-2-cyclohexen-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
4,6-Didésoxy-4-{[(1S,4R,5R,6S)-4-{[4-O-(4,6-didésoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-( hydroxyméthyl)-2-cyclohexén-1-yl]amino}-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-4,6-dideoxy-4-[[(1S,4R,5R,6S)-4-[[4-O-[4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl]-α-D-glucopyranosyl]
 oxy]-5,6-dihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)- [ACD/Index Name]
7SA
HMC-(1-4)AGL-(1-4)GLC-(1-4)HMC-(1-4)AGL-(1-4)GLC-(1-4)GLC

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1344.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 228.2±6.0 kJ/mol
Flash Point: 766.6±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 245.3±0.4 cm3
#H bond acceptors: 32
#H bond donors: 23
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -7.50
ACD/LogD (pH 5.5): -9.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 532 Å2
Polarizability: 97.3±0.5 10-24cm3
Surface Tension: 122.7±5.0 dyne/cm
Molar Volume: 626.2±5.0 cm3

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