ChemSpider 2D Image | (6S,7S,12S,13S,17S)-6-Benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-17-isobutyl-2,2-dimethyl-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid | C34H55N3O8

(6S,7S,12S,13S,17S)-6-Benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-17-isobutyl-2,2-dimethyl-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid

  • Molecular FormulaC34H55N3O8
  • Average mass633.816 Da
  • Monoisotopic mass633.398926 Da
  • ChemSpider ID392996

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
(6S,7S,12S,13S,17S)-6-Benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-17-isobutyl-2,2-dimethyl-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid [ACD/IUPAC Name]
(6S,7S,12S,13S,17S)-6-Benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-17-isobutyl-2,2-dimethyl-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-säure [German] [ACD/IUPAC Name]
Acide (6S,7S,12S,13S,17S)-6-benzyl-12-(cyclohexylméthyl)-7,13-dihydroxy-17-isobutyl-2,2-diméthyl-4,10,15-trioxo-3-oxa-5,11,16-triazaoctadécan-18-oïque [French] [ACD/IUPAC Name]
(6r,7s,12r,13r,17r)-6-Benzyl-12-(Cyclohexylmethyl)-7,13-Dihydroxy-2,2-Dimethyl-17-(2-Methylpropyl)-4,10,15-Trioxo-3-Oxa-5,11,16-Triazaoctadecan-18-Oic Acid (Non-Preferred Name)
0EO
BOC-FOG-CHS-LEU

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

Density: 1.1±0.1 g/cm3
Boiling Point: 886.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.0±3.0 kJ/mol
Flash Point: 490.1±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 171.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 59.44
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 174 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 551.0±3.0 cm3

Click to predict properties on the Chemicalize site


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