ChemSpider 2D Image | N-(Acetylmuramoyl)-L-alanyl-D-isoglutamine | C19H32N4O11

N-(Acetylmuramoyl)-L-alanyl-D-isoglutamine

  • Molecular FormulaC19H32N4O11
  • Average mass492.478 Da
  • Monoisotopic mass492.206757 Da
  • ChemSpider ID34996092

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,5R,7R,10S,13R)-13-Carbamoyl-4-formyl-7,10-dimethyl-2,8,11-trioxo-5-[(1R,2R)-1,2,3-trihydroxypropyl]-6-oxa-3,9,12-triazahexadecan-16-oic acid (non-preferred name) [ACD/IUPAC Name]
(4R,5R,7R,10S,13R)-13-Carbamoyl-4-formyl-7,10-dimethyl-2,8,11-trioxo-5-[(1R,2R)-1,2,3-trihydroxypropyl]-6-oxa-3,9,12-triazahexadecan-16-säure (non-preferred name) [German] [ACD/IUPAC Name]
258-696-9 [EINECS]
53678-77-6 [RN]
Acide (4R,5R,7R,10S,13R)-13-carbamoyl-4-formyl-7,10-diméthyl-2,8,11-trioxo-5-[(1R,2R)-1,2,3-trihydroxypropyl]-6-oxa-3,9,12-triazahexadécan-16-oïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Glucose, 2-(acetylamino)-3-O-[(1R)-2-[[(1S)-2-[[(1R)-1-(aminocarbonyl)-3-carboxypropyl]amino]-1-methyl-2-oxoethyl]amino]-1-methyl-2-oxoethyl]-2-deoxy- [ACD/Index Name]
N-(Acetylmuramoyl)-L-alanyl-D-isoglutamine
(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Muramyl dipeptide
N-(Acetylmuramyl)-L-alanyl-D-isoglutamine

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

2U7S2HVO96 [DBID]
UNII:2U7S2HVO96 [DBID]
UNII-2U7S2HVO96 [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: 1071.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.8±6.0 kJ/mol
Flash Point: 602.0±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 354.2±3.0 cm3

Click to predict properties on the Chemicalize site


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