Found 87 results

Search term: MF = 'C_{22}H_{36}N_{2}O_{7}'
ChemSpider 2D Image | (3R,4S,5S,6R)-4-[(2R,3R)-3-{[(2S)-3,3-Dimethyl-2-oxiranyl]methyl}-2-methyl-2-oxiranyl]-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate (non-preferred name) | C22H36N2O7

(3R,4S,5S,6R)-4-[(2R,3R)-3-{[(2S)-3,3-Dimethyl-2-oxiranyl]methyl}-2-methyl-2-oxiranyl]-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate (non-preferred name)

  • Molecular FormulaC22H36N2O7
  • Average mass440.530 Da
  • Monoisotopic mass440.252258 Da
  • ChemSpider ID58994393

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4S,5S,6R)-4-[(2R,3R)-3-{[(2S)-3,3-Dimethyl-2-oxiranyl]methyl}-2-methyl-2-oxiranyl]-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6R)-4-[(2R,3R)-3-{[(2S)-3,3-Dimethyl-2-oxiranyl]methyl}-2-methyl-2-oxiranyl]-5-methoxy-1-oxaspiro[2.5]oct-6-yl-[(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R)-1-Amino-3-méthyl-1-oxo-2-butanyl]carbamate de (3R,4S,5S,6R)-4-[(2R,3R)-3-{[(2S)-3,3-diméthyl-2-oxiranyl]méthyl}-2-méthyl-2-oxiranyl]-5-méthoxy-1-oxaspiro[2.5]oct-6-yle (non-preferred name) [French] [ACD/IUPAC 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: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.56
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.55
Polar Surface Area: 128 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 355.4±5.0 cm3

Click to predict properties on the Chemicalize site


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