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Search term: ALRIPXLHDVNKNQ-GFZKKPQCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {3-hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-phenyl-2-butanyl}carbamate | C31H46N2O7

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {3-hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC31H46N2O7
  • Average mass558.706 Da
  • Monoisotopic mass558.330505 Da
  • ChemSpider ID23153177

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {3-hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {3-hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-phenylbutan-2-yl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{3-hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{3-Hydroxy-4-[(13E)-2-oxo-1-oxa-3-azacyclohexadéc-13-én-3-yl]-1-phényl-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-hydroxy-3-[(13E)-2-oxo-1-oxa-3-azacyclohexadec-13-en-3-yl]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
[1-Benzyl-2-hydroxy-3-(2-oxo-1-oxa-3-aza-cyclohexadec-13-en-3-yl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6198.76
ACD/KOC (pH 5.5): 18035.29
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6197.98
ACD/KOC (pH 7.4): 18033.01
Polar Surface Area: 107 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 465.7±5.0 cm3

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