ChemSpider 2D Image | Tavilermide | C24H32N6O11

Tavilermide

  • Molecular FormulaC24H32N6O11
  • Average mass580.544 Da
  • Monoisotopic mass580.212891 Da
  • ChemSpider ID7984131
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

10161
263251-78-1 [RN]
2H-1,5,8,11-Benzoxatriazacyclotetradecine-10-propanoic acid, 7-(4-aminobutyl)-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-(4-Aminobutyl)-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-(4-Aminobutyl)-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-(4-aminobutyl)-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]
NMG938VJ6T
tavilermida [Spanish] [INN]
tavilermide [French] [INN]
Tavilermide [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MIM-D3 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1122.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.1±3.0 kJ/mol
Flash Point: 632.6±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -5.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

Click to predict properties on the Chemicalize site






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