ChemSpider 2D Image | 2-Methyl-2-propanyl (9'E)-2'-methyl-6',15'-dioxo-1',2',2'',3',3'',4',5'',6'',8',11',15',16',17',17a'-tetradecahydro-4H-dispiro[1,4-oxazinane-2,14'-pyrazino[2,1-g][1,5,8]oxadiazacyclotetradecine-7',4'' -pyran]-4-carboxylate | C27H44N4O7

2-Methyl-2-propanyl (9'E)-2'-methyl-6',15'-dioxo-1',2',2'',3',3'',4',5'',6'',8',11',15',16',17',17a'-tetradecahydro-4H-dispiro[1,4-oxazinane-2,14'-pyrazino[2,1-g][1,5,8]oxadiazacyclotetradecine-7',4'' -pyran]-4-carboxylate

  • Molecular FormulaC27H44N4O7
  • Average mass536.661 Da
  • Monoisotopic mass536.320984 Da
  • ChemSpider ID107407876

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl (9'E)-2'-methyl-6',15'-dioxo-1',2',2'',3',3'',4',5'',6'',8',11',15',16',17',17a'-tetradecahydro-4H-dispiro[1,4-oxazinane-2,14'-pyrazino[2,1-g][1,5,8]oxadiazacyclotetradecine-7',4'' -pyran]-4-carboxylate [ACD/IUPAC Name]
Dispiro[morpholine-2,14'(13'H)-pyrazino[2,1-g][1,5,8]oxadiazacyclotetradecine-7'(6'H),4''-[4H]pyran]-4-carboxylic acid, 1',2',2'',3',3'',4',5'',6'',8',11',15',16',17',17'a-tetradecahydro-2'-methyl-6', 15'-dioxo-, 1,1-dimethylethyl ester, (9'E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.58
Polar Surface Area: 110 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

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