ChemSpider 2D Image | (2S,3R,4R,5S,6R)-2-{[{[{[(2R,3S,4R,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-(hydroxymethyl )-3-[(3-hydroxytetradecanoyl)amino]tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate | C43H77N3O20P2

(2S,3R,4R,5S,6R)-2-{[{[{[(2R,3S,4R,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-(hydroxymethyl )-3-[(3-hydroxytetradecanoyl)amino]tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate

  • Molecular FormulaC43H77N3O20P2
  • Average mass1018.027 Da
  • Monoisotopic mass1017.457581 Da
  • ChemSpider ID389369

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2S,3R,4R,5S,6R)-2-{[{[{[(2R,3S,4R,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-(hydroxymethyl )-3-[(3-hydroxytetradecanoyl)amino]tetrahydro-2H-pyran-4-yl 3-hydroxytetradecanoate [ACD/IUPAC Name]
(2S,3R,4R,5S,6R)-2-{[{[{[(2R,3S,4R,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-(hydroxymethyl )-3-[(3-hydroxytetradecanoyl)amino]tetrahydro-2H-pyran-4-yl-3-hydroxytetradecanoat [German] [ACD/IUPAC Name]
3-Hydroxytétradécanoate de (2S,3R,4R,5S,6R)-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy} -5-hydroxy-6-(hydroxyméthyl)-3-[(3-hydroxytetradecanoyl)amino]tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine
UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine
UDP-2,3-bis(β-hydroxymyristoyl)-D-glucosamine

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

C04652 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 242.6±0.4 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 4.29
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 367 Å2
Polarizability: 96.2±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 742.0±5.0 cm3

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