ChemSpider 2D Image | Diminutol | C19H26N6OS

Diminutol

  • Molecular FormulaC19H26N6OS
  • Average mass386.514 Da
  • Monoisotopic mass386.188873 Da
  • ChemSpider ID21396002

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({6-[(3-Aminophenyl)sulfanyl]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [ACD/IUPAC Name]
(2R)-2-({6-[(3-Aminophenyl)sulfanyl]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-({6-[(3-Aminophényl)sulfanyl]-9-isopropyl-9H-purin-2-yl}amino)-3-méthyl-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-[[6-[(3-aminophenyl)thio]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)- [ACD/Index Name]
361431-33-6 [RN]
Diminutol
(2R)-2-({6-[(3-Aminophenyl)sulfanyl]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
(2R)-2-({6-[(3-AMINOPHENYL)SULFANYL]-9-ISOPROPYLPURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
(2R)-2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
(2R)-2-[[6-[(3-aminophenyl)thio]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.7±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.38
ACD/KOC (pH 5.5): 1390.73
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.84
ACD/KOC (pH 7.4): 1402.42
Polar Surface Area: 127 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 287.5±7.0 cm3

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