ChemSpider 2D Image | (2R)-2-[(1R)-1-{[(2R)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | C18H18N2O9

(2R)-2-[(1R)-1-{[(2R)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

  • Molecular FormulaC18H18N2O9
  • Average mass406.344 Da
  • Monoisotopic mass406.101227 Da
  • ChemSpider ID26328098
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R)-2-[(1R)-1-{[(2R)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylen-5,6-dihydro-2H-1,3-oxazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(1R)-1-{[(2R)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid [ACD/IUPAC Name]
(2r)-2-[(1r)-1-{[(2r)-2-Carboxy-2-(4-Hydroxyphenyl)acetyl]amino}-1-Methoxy-2-Oxoethyl]-5-Methylidene-5,6-Dihydro-2h-1,3-Oxazine-4-Carboxylic Acid
2H-1,3-Oxazine-4-carboxylic acid, 2-[(1R)-1-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-1-methoxy-2-oxoethyl]-5,6-dihydro-5-methylene-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphényl)acétyl]amino}-1-méthoxy-2-oxoéthyl]-5-méthylène-5,6-dihydro-2H-1,3-oxazine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 272.2±7.0 cm3

Click to predict properties on the Chemicalize site






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