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-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-methyl-2-oxiranyl}-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate | C22H36N2O7

(3R,4S,5S,6R)-4-{(2R,3R)-3-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-methyl-2-oxiranyl}-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC22H36N2O7
  • Average mass440.530 Da
  • Monoisotopic mass440.252258 Da
  • ChemSpider ID58994962

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,4S,5S,6R)-4-{(2R,3R)-3-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-methyl-2-oxiranyl}-5-methoxy-1-oxaspiro[2.5]oct-6-yl [(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,4S,5S,6R)-4-{(2R,3R)-3-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-methyl-2-oxiranyl}-5-methoxy-1-oxaspiro[2.5]oct-6-yl-[(2R)-1-amino-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2R)-1-Amino-3-méthyl-1-oxo-2-butanyl]carbamate de (3R,4S,5S,6R)-4-{(2R,3R)-3-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]-2-méthyl-2-oxiranyl}-5-méthoxy-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-(aminocarbonyl)-2-methylpropyl]-, (3R,4S,5S,6R)-4-[(2R,3R)-3-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-2-methyloxiranyl]-5-methoxy-1-oxaspiro[2.5]oct-6-yl ester [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: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 49.85
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 49.82
Polar Surface Area: 136 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

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