Found 6 results

Search term: MF = 'C_{37}H_{61}N_{5}O_{9}'
ChemSpider 2D Image | (3R,4S)-3-Hydroxy-4-[(N-{(3S,4R)-3-hydroxy-6-methyl-4-[(N-{(2S)-2-[(3-methylbutanoyl)amino]-2-phenylacetyl}-L-valyl)amino]heptanoyl}-L-alanyl)amino]-6-methylheptanoic acid | C37H61N5O9

(3R,4S)-3-Hydroxy-4-[(N-{(3S,4R)-3-hydroxy-6-methyl-4-[(N-{(2S)-2-[(3-methylbutanoyl)amino]-2-phenylacetyl}-L-valyl)amino]heptanoyl}-L-alanyl)amino]-6-methylheptanoic acid

  • Molecular FormulaC37H61N5O9
  • Average mass719.908 Da
  • Monoisotopic mass719.446899 Da
  • ChemSpider ID78443264

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,4S)-3-Hydroxy-4-[(N-{(3S,4R)-3-hydroxy-6-methyl-4-[(N-{(2S)-2-[(3-methylbutanoyl)amino]-2-phenylacetyl}-L-valyl)amino]heptanoyl}-L-alanyl)amino]-6-methylheptanoic acid [ACD/IUPAC Name]
(3R,4S)-3-Hydroxy-4-[(N-{(3S,4R)-3-hydroxy-6-methyl-4-[(N-{(2S)-2-[(3-methylbutanoyl)amino]-2-phenylacetyl}-L-valyl)amino]heptanoyl}-L-alanyl)amino]-6-methylheptansäure [German] [ACD/IUPAC Name]
5,8,11,16,19-Pentaazatricosan-23-oic acid, 13,21-dihydroxy-2,17-dimethyl-9-(1-methylethyl)-12,20-bis(2-methylpropyl)-4,7,10,15,18-pentaoxo-6-phenyl-, (6S,9S,12R,13S,17S,20S,21R)- [ACD/Index Name]
Acide (3R,4S)-3-hydroxy-4-[(N-{(3S,4R)-3-hydroxy-6-méthyl-4-[(N-{(2S)-2-[(3-méthylbutanoyl)amino]-2-phénylacétyl}-L-valyl)amino]heptanoyl}-L-alanyl)amino]-6-méthylheptanoïque [French] [ACD/IUPAC Name]
Ahpatinin F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1048.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.6±3.0 kJ/mol
Flash Point: 587.6±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 192.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 15.23
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 624.8±3.0 cm3

Click to predict properties on the Chemicalize site


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