ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl {(2S)-1-[(5S,8S)-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-bu tanyl}carbamate (non-preferred name) | C36H51N5O9

(3S)-Tetrahydro-3-furanyl {(2S)-1-[(5S,8S)-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-bu tanyl}carbamate (non-preferred name)

  • Molecular FormulaC36H51N5O9
  • Average mass697.818 Da
  • Monoisotopic mass697.368652 Da
  • ChemSpider ID34545556

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-Tetrahydro-3-furanyl {(2S)-1-[(5S,8S)-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-bu tanyl}carbamate (non-preferred name) [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-{(2S)-1-[(5S,8S)-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-3-(4-methoxy-3,5-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-bu tanyl}carbamat (non-preferred name) [German] [ACD/IUPAC Name]
{(2S)-1-[(5S,8S)-8-{[(3S)-1-(Cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-3-(4-méthoxy-3,5-diméthylphényl)-1-oxa-2,7-diazaspiro[4.4]non-2-én-7-yl]-3,3-diméthyl-1-oxo-2-butanyl}carbamate de (3S)-té trahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 181.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 174 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 514.6±7.0 cm3

Click to predict properties on the Chemicalize site


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