ChemSpider 2D Image | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE] | C42H52N6O8

N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]

  • Molecular FormulaC42H52N6O8
  • Average mass768.898 Da
  • Monoisotopic mass768.384644 Da
  • ChemSpider ID392984

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(2S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-butanyl}hexandiamid [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(2S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-butanyl}hexanediamide [ACD/IUPAC Name]
(2R,3R,4R,5R)-2,5-Bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(2S)-3-méthyl-1-oxo-1-[(2-pyridinylméthyl)amino]-2-butanyl}hexanediamide [French] [ACD/IUPAC Name]
N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid, bis-({2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-propyl}-amide)
INHIBITOR MSA367
MS3
symmetric/asymmetric inhibitor 9

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

AIDS169211 [DBID]
AIDS-169211 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1084.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.7±3.0 kJ/mol
Flash Point: 609.8±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 209.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 335.61
ACD/KOC (pH 5.5): 2191.71
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 359.36
ACD/KOC (pH 7.4): 2346.75
Polar Surface Area: 201 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 622.4±3.0 cm3

Click to predict properties on the Chemicalize site


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