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Search term: CXYHCWWDNXTNJQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3R,4R)-1-Acetyl-4-hydroxy-2-(hydroxymethyl)-3-pyrrolidinyl 4-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside | C19H33NO13

(2R,3R,4R)-1-Acetyl-4-hydroxy-2-(hydroxymethyl)-3-pyrrolidinyl 4-O-(6-deoxy-β-D-glucopyranosyl)-α-D-glucopyranoside

  • Molecular FormulaC19H33NO13
  • Average mass483.464 Da
  • Monoisotopic mass483.195190 Da
  • ChemSpider ID58994672

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2R,3R,4R)-1-Acetyl-4-hydroxy-2-(hydroxymethyl)-3-pyrrolidinyl 4-O-(6-deoxy-β-D-glucopyranosyl)-α-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R,4R)-1-Acetyl-4-hydroxy-2-(hydroxymethyl)-3-pyrrolidinyl-4-O-(6-desoxy-β-D-glucopyranosyl)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-β-D-glucopyranosyl)-α-D-glucopyranoside de (2R,3R,4R)-1-acétyl-4-hydroxy-2-(hydroxyméthyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
Ethanone, 1-[(2R,3R,4R)-3-[[4-O-(6-deoxy-β-D-glucopyranosyl)-α-D-glucopyranosyl]oxy]-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 809.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.9±6.0 kJ/mol
Flash Point: 443.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.08
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 298.9±5.0 cm3

Click to predict properties on the Chemicalize site


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