ChemSpider 2D Image | (2R,4R,5S)-3-Acetamido-2-{[{[{[(2R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymet hyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate | C31H53N3O19P2

(2R,4R,5S)-3-Acetamido-2-{[{[{[(2R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymet hyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate

  • Molecular FormulaC31H53N3O19P2
  • Average mass833.709 Da
  • Monoisotopic mass833.274841 Da
  • ChemSpider ID7826139

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(2R,4R,5S)-3-Acetamido-2-{[{[{[(2R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymet hyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate [ACD/IUPAC Name]
(2R,4R,5S)-3-Acetamido-2-{[{[{[(2R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymet hyl)tetrahydro-2H-pyran-4-yl-(3R)-3-hydroxytetradecanoat [German] [ACD/IUPAC Name]
(3R)-3-Hydroxytétradécanoate de (2R,4R,5S)-3-acétamido-2-{[{[{[(2R,4S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phospho ryl]oxy}-5-hydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
UDP-3-(3R-hydroxy-tetradecanoyl)-N-acetyl-αD-glucosamine
UDP-3-O-(β-hydroxymyristoyl)-GlcNAc

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

LMSL01020003 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 185.5±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -6.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 552.8±5.0 cm3

Click to predict properties on the Chemicalize site


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