ChemSpider 2D Image | (Z)-mycophenolate mofetil | C23H31NO7

(Z)-mycophenolate mofetil

  • Molecular FormulaC23H31NO7
  • Average mass433.495 Da
  • Monoisotopic mass433.210052 Da
  • ChemSpider ID10633664

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-6-(4-Hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexénoate de 2-(4-morpholinyl)éthyle [French] [ACD/IUPAC Name]
(Z)-mycophenolate mofetil
2-(4-Morpholinyl)ethyl (4Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
2-(4-Morpholinyl)ethyl-(4Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoat [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4Z)- [ACD/Index Name]
MYCOPHENOLATE MOFETIL, (Z)-
(4Z)-MYCOPHENOLATE MOFETIL
(E)-2-morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
(Z)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid 2-morpholinoethyl ester
(Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methylhex-4-enoic acid 2-morpholinoethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KI2PVZ8JS6 [DBID]
UNII:KI2PVZ8JS6 [DBID]
UNII-KI2PVZ8JS6 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 78.22
ACD/KOC (pH 5.5): 527.05
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 309.60
ACD/KOC (pH 7.4): 2086.01
Polar Surface Area: 95 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 354.6±3.0 cm3

Click to predict properties on the Chemicalize site


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