ChemSpider 2D Image | (2S)-1-[(2S)-4-Amino-2-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr oxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]amino}-4-oxobutanoyl]-2-pyrrolidinecarboxylic acid | C27H45N3O19

(2S)-1-[(2S)-4-Amino-2-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr oxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]amino}-4-oxobutanoyl]-2-pyrrolidinecarboxylic acid

  • Molecular FormulaC27H45N3O19
  • Average mass715.655 Da
  • Monoisotopic mass715.264709 Da
  • ChemSpider ID2340453

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2S)-1-[(2S)-4-Amino-2-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr oxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]amino}-4-oxobutanoyl]-2-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(2S)-1-[(2S)-4-Amino-2-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr oxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]amino}-4-oxobutanoyl]-2-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
Acide (2S)-1-[(2S)-4-amino-2-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxyméthyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6 -(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]amino}-4-oxobutanoyl]-2-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
α-D-Glucopyranosylamine, O-α-D-glucopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->2)]-N-[(1S)-3-amino-1-[[(2S)-2-carboxy-1-pyrrolidinyl]carbonyl]-3-oxopropyl]- [ACD/Index Name]
131088-79-4 [RN]
Ggapga
L-Proline, 1-(N-(O-α-D-glucopyranosyl-(1-6)-O-β-D-glucopyranosyl-(1-6)-α-D-glucopyranosyl)-L-asparaginyl)-
O-GLUCOPYRANOSYL-(1-6)-O-GLUCOPYRANOSYL-(1-6)-1-N-(ASPART-1-OYL-PROLIN E-4-OYL)GLUCOPYRANOSYLAMINE
O-Glucopyranosyl-(1-6)-O-glucopyranosyl-(1-6)-1-N-(aspart-1-oyl-proline-4-oyl)glucopyranosylamine
O-α-D-Glucopyranosyl-(1-6)-O-β-D-glucopyranosyl-(1-6)-1-N-(L-aspart-1-oyl-(L-proline)-4-oyl)-α-D-glucopyranosylamine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1138.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.7±6.0 kJ/mol
Flash Point: 642.5±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -6.67
ACD/LogD (pH 5.5): -8.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 361 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 113.7±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

Click to predict properties on the Chemicalize site


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