ChemSpider 2D Image | N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-11-{2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.0~2,6~.0~10,13~]tetradecane-13-carboxamide | C30H37N3O9

N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-11-{2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide

  • Molecular FormulaC30H37N3O9
  • Average mass583.630 Da
  • Monoisotopic mass583.252991 Da
  • ChemSpider ID3617960

More details:

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

5,3-(Epoxymethano)[1,3]dioxolo[4,5-g]-1,2-benzisoxazole-3a(4H)-carboxamide, hexahydro-N-[3-[(2-hydroxyethyl)amino]-3-oxopropyl]-2-[[2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethenyl]phenyl]methyl]-10-oxo- [ACD/Index Name]
N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-11-{2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecan-13-carboxamid [German] [ACD/IUPAC Name]
N-{3-[(2-Hydroxyethyl)amino]-3-oxopropyl}-11-{2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide [ACD/IUPAC Name]
N-{3-[(2-Hydroxyéthyl)amino]-3-oxopropyl}-11-{2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzyl}-9-oxo-3,5,8,12-tétraoxa-11-azatétracyclo[5.5.2.02,6.010,13]tétradécane-13-carboxamide [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: 1.649
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.52
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.52
Polar Surface Area: 148 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 410.7±3.0 cm3

Click to predict properties on the Chemicalize site


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