Found 4 results

Search term: MF = 'C_{25}H_{34}N_{6}O_{11}'
ChemSpider 2D Image | 3-{(4S,7S,10S)-7-(5-Aminopentyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,5,8,11-benzoxatriazacyclotetradecin-10-yl}propanoic acid | C25H34N6O11

3-{(4S,7S,10S)-7-(5-Aminopentyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,5,8,11-benzoxatriazacyclotetradecin-10-yl}propanoic acid

  • Molecular FormulaC25H34N6O11
  • Average mass594.571 Da
  • Monoisotopic mass594.228577 Da
  • ChemSpider ID8364279

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2H-1,5,8,11-Benzoxatriazacyclotetradecine-10-propanoic acid, 7-(5-aminopentyl)-4-[[(carboxymethyl)amino]carbonyl]-3,4,5,6,7,8,9,10,11,12-decahydro-14-nitro-6,9,12-trioxo-, (4S,7S,10S)- [ACD/Index Name]
3-{(4S,7S,10S)-7-(5-Aminopentyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,5,8,11-benzoxatriazacyclotetradecin-10-yl}propanoic acid [ACD/IUPAC Name]
3-{(4S,7S,10S)-7-(5-Aminopentyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,5,8,11-benzoxatriazacyclotetradecin-10-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{(4S,7S,10S)-7-(5-aminopentyl)-4-[(carboxyméthyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-décahydro-2H-1,5,8,11-benzoxatriazacyclotétradécin-10-yl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1114.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.8±3.0 kJ/mol
Flash Point: 628.1±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

Click to predict properties on the Chemicalize site


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