Found 3 results

Search term: MF = 'C_{37}H_{62}N_{2}O_{30}'
ChemSpider 2D Image | (6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta -D-galactopyranosyl-(1->4)-beta-D-glucopyranose | C37H62N2O30

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β -D-galactopyranosyl-(1->4)-β-D-glucopyranose

  • Molecular FormulaC37H62N2O30
  • Average mass1014.884 Da
  • Monoisotopic mass1014.338745 Da
  • ChemSpider ID88294108

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)]-β -D-galactopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)]-be ;ta-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-3,5-Didésoxy-5-[(2-hydroxyacétyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1 ->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-[O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl- (1->;4)]-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
(2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidGM1-NeuGc
Gal(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-4)b-Glc
missing
WURCS=2.0/4,5,4/[a2122h-1b1-5][a2112h-1b1-5][Aad21122h-2a2-65*NCCO/3=O][a2112h-1b1-52*NCC/3=O]/1-2-3-4-2/a4-b1b3-c2b4-d1_d3-e1
  • Miscellaneous

    • Chemical Class:

      A member of the class of neraminic acids that is beta-D-Galp-(1->3)-2-acetamido-2-deoxy-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp in which position 3 of the Galp residue is attached to posi tion 2 of the N-glycolylneuraminic acid. ChEBI CHEBI:145595

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1474.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 254.3±6.0 kJ/mol
Flash Point: 845.7±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 213.6±0.4 cm3
#H bond acceptors: 32
#H bond donors: 20
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -5.28
ACD/LogD (pH 5.5): -9.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 522 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 124.7±5.0 dyne/cm
Molar Volume: 560.1±5.0 cm3

Click to predict properties on the Chemicalize site


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