ChemSpider 2D Image | (3S)-Tetrahydro-3-furanyl {(2S)-1-[(5S,8S)-3-cyclopentyl-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate (no n-preferred name) | C32H49N5O8

(3S)-Tetrahydro-3-furanyl {(2S)-1-[(5S,8S)-3-cyclopentyl-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate (no n-preferred name)

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID13178965

  • 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)-3-cyclopentyl-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate (no n-preferred name) [ACD/IUPAC Name]
(3S)-Tetrahydro-3-furanyl-{(2S)-1-[(5S,8S)-3-cyclopentyl-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamat (non -preferred name) [German] [ACD/IUPAC Name]
{(2S)-1-[(5S,8S)-3-Cyclopentyl-8-{[(3S)-1-(cyclopropylamino)-1,2-dioxo-3-hexanyl]carbamoyl}-1-oxa-2,7-diazaspiro[4.4]non-2-én-7-yl]-3,3-diméthyl-1-oxo-2-butanyl}carbamate de (3S)-tétrahydro-3-furanyle [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: 1.646
Molar Refractivity: 162.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#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: 165 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 446.8±7.0 cm3

Click to predict properties on the Chemicalize site


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