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-[(N,N-diethylglycyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)acetate | C34H49N5O5S

(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-[(N,N-diethylglycyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)acetate

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID129183016

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

({4-[(N,N-Diéthylglycyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}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]
(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-[(N,N-diethylglycyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}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-[(N,N-diethylglycyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-[[2-(diethylamino)acetyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclope ntacycloocten-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 31.32
ACD/KOC (pH 5.5): 88.01
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1449.46
ACD/KOC (pH 7.4): 4072.88
Polar Surface Area: 163 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 507.4±5.0 cm3

Click to predict properties on the Chemicalize site


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