Found 191 results

Search term: MF = 'C_{24}H_{34}N_{6}O_{4}S'
ChemSpider 2D Image | (1S,2R,3S,5R)-3-(2-Hydroxy-2-propanyl)-5-{[2-{[(2R)-1-methoxy-2-propanyl]amino}-6-methyl-5-(4-methyl[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino}-1,2-cyclopentanediol | C24H34N6O4S

(1S,2R,3S,5R)-3-(2-Hydroxy-2-propanyl)-5-{[2-{[(2R)-1-methoxy-2-propanyl]amino}-6-methyl-5-(4-methyl[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino}-1,2-cyclopentanediol

  • Molecular FormulaC24H34N6O4S
  • Average mass502.630 Da
  • Monoisotopic mass502.236237 Da
  • ChemSpider ID28644228

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3S,5R)-3-(2-Hydroxy-2-propanyl)-5-{[2-{[(2R)-1-methoxy-2-propanyl]amino}-6-methyl-5-(4-methyl[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino}-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1S,2R,3S,5R)-3-(2-Hydroxy-2-propanyl)-5-{[2-{[(2R)-1-methoxy-2-propanyl]amino}-6-methyl-5-(4-methyl[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino}-1,2-cyclopentanediol [ACD/IUPAC Name]
(1S,2R,3S,5R)-3-(2-Hydroxy-2-propanyl)-5-{[2-{[(2R)-1-méthoxy-2-propanyl]amino}-6-méthyl-5-(4-méthyl[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino}-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(1-hydroxy-1-methylethyl)-5-[[2-[[(1R)-2-methoxy-1-methylethyl]amino]-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)-4-pyrimidinyl]amino]-, (1S,2R,3S,5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.2±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 30.64
ACD/KOC (pH 5.5): 315.31
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.39
ACD/KOC (pH 7.4): 734.58
Polar Surface Area: 174 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

Click to predict properties on the Chemicalize site


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