ChemSpider 2D Image | (2S,8R,11S,14S,17R,23S)-2,23-Dibenzyl-11,14-bis(4-hydroxybenzyl)-8,17-dimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,12,13,16,19,22-octaazatetracosane-1,24-diamide (non-preferred name) | C46H56N10O10

(2S,8R,11S,14S,17R,23S)-2,23-Dibenzyl-11,14-bis(4-hydroxybenzyl)-8,17-dimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,12,13,16,19,22-octaazatetracosane-1,24-diamide (non-preferred name)

  • Molecular FormulaC46H56N10O10
  • Average mass908.998 Da
  • Monoisotopic mass908.418091 Da
  • ChemSpider ID60599614

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,8R,11S,14S,17R,23S)-2,23-Dibenzyl-11,14-bis(4-hydroxybenzyl)-8,17-dimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,12,13,16,19,22-octaazatetracosan-1,24-diamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,8R,11S,14S,17R,23S)-2,23-Dibenzyl-11,14-bis(4-hydroxybenzyl)-8,17-dimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,12,13,16,19,22-octaazatetracosane-1,24-diamide (non-preferred name) [ACD/IUPAC Name]
(2S,8R,11S,14S,17R,23S)-2,23-Dibenzyl-11,14-bis(4-hydroxybenzyl)-8,17-diméthyl-4,7,10,15,18,21-hexaoxo-3,6,9,12,13,16,19,22-octaazatétracosane-1,24-diamide (non-preferred name) [French] [ACD/IUPAC Name]
(2S,2'S)-2,2'-(hydrazine-1,2-diyl)bis(N-((R)-1-((2-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)amino)-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide)
83916-01-2 [RN]
Biphalin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1401.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 220.5±3.0 kJ/mol
Flash Point: 801.2±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 241.5±0.3 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 45.76
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.21
Polar Surface Area: 325 Å2
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 688.5±3.0 cm3

Click to predict properties on the Chemicalize site


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