Found 1 result

Search term: NQBRVZNDBBMBLJ-MQTLHLSBSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxym ethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoate | C20H28N3O19P2

(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxym ethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoate

  • Molecular FormulaC20H28N3O19P2
  • Average mass676.394 Da
  • Monoisotopic mass676.080872 Da
  • ChemSpider ID28533296

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxym ethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoat [German] [ACD/IUPAC Name]
(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxym ethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoate [ACD/IUPAC Name]
(2R)-2-{[(2R,3R,4R,5S,6R)-3-Acétamido-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]phosphinato}oxy)-5-hydroxy-6-(hydroxym éthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoate [French] [ACD/IUPAC Name]
UDP-N-acetyl-α-D-muramate
UDP-N-acetyl-α-D-muramate(3-)
uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxylatoethyl]-2-deoxy-α-D-glucopyranosyl} diphosphate)
  • Miscellaneous

    • Chemical Class:

      A UDP-N-acetyl-D-muramate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration. ChEBI CHEBI:70757

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.07
ACD/LogD (pH 5.5): -11.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 355 Å2
Polarizability:
Surface Tension:
Molar Volume:

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