ChemSpider 2D Image | (4-Oxo-1,4-dihydro-2-quinazolinyl)methyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate | C40H52N6O8

(4-Oxo-1,4-dihydro-2-quinazolinyl)methyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate

  • Molecular FormulaC40H52N6O8
  • Average mass744.876 Da
  • Monoisotopic mass744.384644 Da
  • ChemSpider ID422799

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4-Oxo-1,4-dihydro-2-chinazolinyl)methyl-[(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamat [German] [ACD/IUPAC Name]
(4-Oxo-1,4-dihydro-2-quinazolinyl)methyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate [ACD/IUPAC Name]
[(6S,7R,11R,12S,15S)-6,12-Dibenzyl-7,11-dihydroxy-2,2,16-triméthyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadécan-15-yl]carbamate de (4-oxo-1,4-dihydro-2-quinazolinyl)méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R,6R,7S,10S)-14-(1,4-dihydro-4-oxo-2-quinazolinyl)-2,6-dihydroxy-10-(1-methylethyl)-9,12-dioxo-1,7-bis(phenylmethyl)-13-oxa-4,8,11-triazatetradec-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

AIDS097360 [DBID]
AIDS-097360 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 202.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 7.65
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 43.11
ACD/KOC (pH 7.4): 185.94
Polar Surface Area: 200 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 586.5±7.0 cm3

Click to predict properties on the Chemicalize site


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