ChemSpider 2D Image | N-(3-{(4S,6R)-4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxamide | C34H34N2O9

N-(3-{(4S,6R)-4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxamide

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID5112110

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

5-Isobenzofurancarboxamide, N-[3-[(4S,6R)-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
N-(3-{(4S,6R)-4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxamid [German] [ACD/IUPAC Name]
N-(3-{(4S,6R)-4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxamide [ACD/IUPAC Name]
N-(3-{(4S,6R)-4-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}phényl)-1,3-dioxo-1,3-dihydro-2-benzofurane-5-carboxamide [French] [ACD/IUPAC Name]

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

DIOX1_000500 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.4±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 11.69
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 80.90
ACD/KOC (pH 7.4): 297.61
Polar Surface Area: 133 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 425.4±5.0 cm3

Click to predict properties on the Chemicalize site


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