ChemSpider 2D Image | (6S,7S,11S,14S,17R)-6,17-Dibenzyl-7-hydroxy-11-isobutyl-2,2,14,16-tetramethyl-4,9,12,15-tetraoxo-3-oxa-5,10,13,16-tetraazaoctadecan-18-oic acid (non-preferred name) | C35H50N4O8

(6S,7S,11S,14S,17R)-6,17-Dibenzyl-7-hydroxy-11-isobutyl-2,2,14,16-tetramethyl-4,9,12,15-tetraoxo-3-oxa-5,10,13,16-tetraazaoctadecan-18-oic acid (non-preferred name)

  • Molecular FormulaC35H50N4O8
  • Average mass654.794 Da
  • Monoisotopic mass654.362854 Da
  • ChemSpider ID58992465

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S,7S,11S,14S,17R)-6,17-Dibenzyl-7-hydroxy-11-isobutyl-2,2,14,16-tetramethyl-4,9,12,15-tetraoxo-3-oxa-5,10,13,16-tetraazaoctadecan-18-oic acid (non-preferred name) [ACD/IUPAC Name]
(6S,7S,11S,14S,17R)-6,17-Dibenzyl-7-hydroxy-11-isobutyl-2,2,14,16-tetramethyl-4,9,12,15-tetraoxo-3-oxa-5,10,13,16-tetraazaoctadecan-18-säure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (6S,7S,11S,14S,17R)-6,17-dibenzyl-7-hydroxy-11-isobutyl-2,2,14,16-tétraméthyl-4,9,12,15-tétraoxo-3-oxa-5,10,13,16-tétraazaoctadécan-18-oïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 915.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.6±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 176.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 3.50
ACD/KOC (pH 5.5): 23.38
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 552.6±3.0 cm3

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