Found 36 results

Search term: MF = 'C_{36}H_{40}N_{2}O_{8}'

ChemSpider 2D Image | (3aS,4R,7aR)-6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate | C36H40N2O8

(3aS,4R,7aR)-6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID5146495
  • defined stereocentres - 3 of 6 defined stereocentres


More details:






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

(3aS,4R,7aR)-6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate [ACD/IUPAC Name]
(3aS,4R,7aR)-6-({3-[(2-Hydroxyethyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yl-3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoat [German] [ACD/IUPAC Name]
3-[2-(7-Oxabicyclo[4.1.0]hept-3-yl)vinyl]benzoate de (3aS,4R,7aR)-6-({3-[(2-hydroxyéthyl)amino]-3-oxopropyl}carbamoyl)-1',3',3a,4,5,7a-hexahydrospiro[1,3-benzodioxole-2,2'-inden]-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethenyl]-, (3aS,4R,7aR)-1',3',3a,4,5,7a-hexahydro-6-[[[3-[(2-hydroxyethyl)amino]-3-oxopropyl]amino]carbonyl]spiro[1,3-benzodioxole-2,2'-[2H]inden]-4-yl ester [ACD/Index Name]
SAD-E_000499

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 920.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 510.2±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.91
ACD/KOC (pH 5.5): 1690.13
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.91
ACD/KOC (pH 7.4): 1690.13
Polar Surface Area: 136 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

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