ChemSpider 2D Image | [(4-{[(Benzyloxy)carbonyl]amino}cyclohexyl)sulfanyl]acetic acid | C16H21NO4S

[(4-{[(Benzyloxy)carbonyl]amino}cyclohexyl)sulfanyl]acetic acid

  • Molecular FormulaC16H21NO4S
  • Average mass323.407 Da
  • Monoisotopic mass323.119141 Da
  • ChemSpider ID28297591

More details:

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

[(4-{[(Benzyloxy)carbonyl]amino}cyclohexyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(4-{[(Benzyloxy)carbonyl]amino}cyclohexyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-[[(phenylmethoxy)carbonyl]amino]cyclohexyl]thio]- [ACD/Index Name]
Acide [(4-{[(benzyloxy)carbonyl]amino}cyclohexyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(4-Benzyloxycarbonylaminocyclohexylsulfanyl)acetic acid
(4-Benzyloxycarbonylamino-cyclohexylsulfanyl)acetic acid
(4-Benzyloxycarbonylamino-cyclohexylsulfanyl)-acetic acid
1353983-18-2 [RN]
2-((4-(((Benzyloxy)carbonyl)amino)cyclohexyl)thio)acetic acid
2-[(4-{[(BENZYLOXY)CARBONYL]AMINO}CYCLOHEXYL)SULFANYL]ACETIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 533.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 16.21
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

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