ChemSpider 2D Image | (2R)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C14H15N5O5S2

(2R)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

  • Molecular FormulaC14H15N5O5S2
  • Average mass397.429 Da
  • Monoisotopic mass397.051453 Da
  • ChemSpider ID26328474
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylen-5,6-dihydro-2H-1,3-thiazin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
(2r)-2-[(1r)-1-{[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)acetyl]amino}-2-Oxoethyl]-5-Methylidene-5,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid
2H-1,3-Thiazine-4-carboxylic acid, 2-[(1R)-1-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-oxoethyl]-5,6-dihydro-5-methylene-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-2-oxoéthyl]-5-méthylène-5,6-dihydro-2H-1,3-thiazine-4-carboxylique [French] [ACD/IUPAC Name]
PCNOTAXIME GROUP

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 239.4±7.0 cm3

Click to predict properties on the Chemicalize site






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