Found 79 results

Search term: MF = 'C_{15}H_{24}N_{6}O_{6}'
ChemSpider 2D Image | (2S,3R)-3-(3-Carbamimidamidopropyl)-1-{[4-(methoxycarbonyl)-1-piperazinyl]carbonyl}-4-oxo-2-azetidinecarboxylic acid | C15H24N6O6

(2S,3R)-3-(3-Carbamimidamidopropyl)-1-{[4-(methoxycarbonyl)-1-piperazinyl]carbonyl}-4-oxo-2-azetidinecarboxylic acid

  • Molecular FormulaC15H24N6O6
  • Average mass384.388 Da
  • Monoisotopic mass384.175720 Da
  • ChemSpider ID23194885

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-(3-Carbamimidamidopropyl)-1-{[4-(methoxycarbonyl)-1-piperazinyl]carbonyl}-4-oxo-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-3-(3-Carbamimidamidopropyl)-1-{[4-(methoxycarbonyl)-1-piperazinyl]carbonyl}-4-oxo-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R)-3-{3-[(diaminomethylidene)amino]propyl}-1-{[4-(methoxycarbonyl)piperazin-1-yl]carbonyl}-4-oxoazetidine-2-carboxylic acid
1-Piperazinecarboxylic acid, 4-[[(2S,3R)-3-[3-[(aminoiminomethyl)amino]propyl]-2-carboxy-4-oxo-1-azetidinyl]carbonyl]-, 1-methyl ester [ACD/Index Name]
Acide (2S,3R)-3-(3-carbamimidamidopropyl)-1-{[4-(méthoxycarbonyl)-1-pipérazinyl]carbonyl}-4-oxo-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
4-[(S,R)-2-Carboxy-3-(3-guanidino-propyl)-4-oxo-azetidine-1-carbonyl]-piperazine-1-carboxylic acid methyl ester

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

Density: 1.6±0.1 g/cm3
Boiling Point: 632.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.28
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site


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