ChemSpider 2D Image | (2R)-2-[(1R)-1-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C18H20N6O5S2

(2R)-2-[(1R)-1-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC18H20N6O5S2
  • Average mass464.519 Da
  • Monoisotopic mass464.093658 Da
  • ChemSpider ID35034632

  • 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-Hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(1R)-1-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-4-carboxylic acid, 3,6-dihydro-2-[(1R)-1-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-2-oxoethyl]-5-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phénylacétyl]amino}-2-oxoéthyl]-5-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 74.1±7.0 dyne/cm
Molar Volume: 285.5±7.0 cm3

Click to predict properties on the Chemicalize site


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