ChemSpider 2D Image | (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl ({4-amino-6-[(4-morpholinylacetyl)amino]-2-pyrimidinyl}sulfanyl)acetate | C32H47N5O6S

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl ({4-amino-6-[(4-morpholinylacetyl)amino]-2-pyrimidinyl}sulfanyl)acetate

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID76784669

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl ({4-amino-6-[(4-morpholinylacetyl)amino]-2-pyrimidinyl}sulfanyl)acetate [ACD/IUPAC Name]
(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl-({4-amino-6-[(4-morpholinylacetyl)amino]-2-pyrimidinyl}sulfanyl)acetat [German] [ACD/IUPAC Name]
[(4-Amino-6-{[2-(4-morpholinyl)acétyl]amino}-2-pyrimidinyl)sulfanyl]acétate de (1S,2R,3S,4S,6R,7R,8R,14R)-3-hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[4-amino-6-[[2-(4-morpholinyl)acetyl]amino]-2-pyrimidinyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloo cten-8-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2356.41
ACD/KOC (pH 5.5): 8833.53
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2537.53
ACD/KOC (pH 7.4): 9512.50
Polar Surface Area: 182 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

Click to predict properties on the Chemicalize site


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