Found 331 results

Search term: MF = 'C_{13}H_{13}NO_{6}S'
ChemSpider 2D Image | N-{[(1,1-Dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}alanine | C13H13NO6S

N-{[(1,1-Dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}alanine

  • Molecular FormulaC13H13NO6S
  • Average mass311.310 Da
  • Monoisotopic mass311.046356 Da
  • ChemSpider ID28567431

More details:

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

Alanine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]- [ACD/Index Name]
N-{[(1,1-Dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}alanin [German] [ACD/IUPAC Name]
N-{[(1,1-Dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}alanine [ACD/IUPAC Name]
N-{[(1,1-Dioxydo-1-benzothiophén-2-yl)méthoxy]carbonyl}alanine [French] [ACD/IUPAC Name]
197245-15-1 [RN]
2-({[(1,1-DIOXO-1??-BENZOTHIOPHEN-2-YL)METHOXY]CARBONYL}AMINO)PROPANOIC ACID
N-Bsmoc-L-alanine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.5±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

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