ChemSpider 2D Image | (2R)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | C19H20N6O5S3

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

  • Molecular FormulaC19H20N6O5S3
  • Average mass508.594 Da
  • Monoisotopic mass508.065735 Da
  • ChemSpider ID26326295

  • 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-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-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-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid [ACD/IUPAC Name]
2H-1,3-Thiazine-4-carboxylic acid, 2-[(1R)-1-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-oxoethyl]-3,6-dihydro-5-[(Z)-2-(4-methyl-5-thiazolyl)ethenyl]-, (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-[(Z)-2-(4-méthyl-1,3-thiazol-5-yl)vinyl]-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: 1.759
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 24.59
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

Click to predict properties on the Chemicalize site


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