ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-6-O-sulfo-beta-D-galactopyranosyl-(1->4)-D-glucopyranose | C23H39NO22S

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-6-O-sulfo-β-D-galactopyranosyl-(1->4)-D-glucopyranose

  • Molecular FormulaC23H39NO22S
  • Average mass713.614 Da
  • Monoisotopic mass713.168457 Da
  • ChemSpider ID2339671
  • defined stereocentres - 15 of 16 defined stereocentres


More details:






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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-6-O-sulfo-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-6-O-sulfo-β-D-galactopyranosyl-(1->4)-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-6-O-sulfo-β-D-galactopyranosyl-(1->4)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->;3)-O-6-O-sulfo-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
(2S,4S,5R,6R)-5-ACETAMIDO-2-[(2R,3S,4S,5R,6S)-3,5-DIHYDROXY-2-(SULFOOX YMETHYL)-6-[(2R,3R,4S,5R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL] OXY-OXAN-4-YL]OXY-4-HYDROXY-6-[(1S,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2- CARBOXYLIC ACID
22352-48-3 [RN]
ANLS
D-Glucopyranose, O-(N-acetyl-α-neuraminosyl)-(2-3)-O-6-O-sulfo-β-D-galactopyranosyl-(1-6)-
N-Acetylneuramin lactose sulfate
N-Acetylneuraminlactose sulfate
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -8.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 387 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 123.2±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

Click to predict properties on the Chemicalize site