ChemSpider 2D Image | (2r)-2-[(1r)-1-{[(2z)-2-(5-Amino-1,2,4-Thiadiazol-3-Yl)-2-(Hydroxyimino)acetyl]amino}-2-Oxoethyl]-5-({2-Oxo-1-[(3r)-Pyrrolidin-3-Yl]-2,5-Dihydro-1h-Pyrrol-3-Yl}methyl)-3,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid | C20H24N8O6S2

(2r)-2-[(1r)-1-{[(2z)-2-(5-Amino-1,2,4-Thiadiazol-3-Yl)-2-(Hydroxyimino)acetyl]amino}-2-Oxoethyl]-5-({2-Oxo-1-[(3r)-Pyrrolidin-3-Yl]-2,5-Dihydro-1h-Pyrrol-3-Yl}methyl)-3,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid

  • Molecular FormulaC20H24N8O6S2
  • Average mass536.585 Da
  • Monoisotopic mass536.126038 Da
  • ChemSpider ID35034299
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R)-2-[(1R)-1-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-3-pyrrolidinyl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazin-4-carb onsäure [German] [ACD/IUPAC Name]
(2R)-2-[(1R)-1-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-3-pyrrolidinyl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-car boxylic acid [ACD/IUPAC Name]
(2r)-2-[(1r)-1-{[(2z)-2-(5-Amino-1,2,4-Thiadiazol-3-Yl)-2-(Hydroxyimino)acetyl]amino}-2-Oxoethyl]-5-({2-Oxo-1-[(3r)-Pyrrolidin-3-Yl]-2,5-Dihydro-1h-Pyrrol-3-Yl}methyl)-3,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid
2H-1,3-Thiazine-4-carboxylic acid, 2-[(1R)-1-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)-1-oxoethyl]amino]-2-oxoethyl]-5-[[2,5-dihydro-2-oxo-1-[(3R)-3-pyrrolidinyl]-1H-pyrrol-3-yl]methyl ]-3,6-dihydro-, (2R)- [ACD/Index Name]
Acide (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acétyl]amino}-2-oxoéthyl]-5-({2-oxo-1-[(3R)-3-pyrrolidinyl]-2,5-dihydro-1H-pyrrol-3-yl}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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.855
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 94.8±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement