ChemSpider 2D Image | N-(Dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine | C17H17NO4S2

N-(Dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine

  • Molecular FormulaC17H17NO4S2
  • Average mass363.451 Da
  • Monoisotopic mass363.059906 Da
  • ChemSpider ID25057926

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-(dibenzo[b,d]thien-3-ylsulfonyl)- [ACD/Index Name]
N-(Dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valin [German] [ACD/IUPAC Name]
N-(Dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine [ACD/IUPAC Name]
N-(Dibenzo[b,d]thiophén-3-ylsulfonyl)-L-valine [French] [ACD/IUPAC Name]
(2S)-3-methyl-2-{8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),3,5,9,11-hexaene-5-sulfonamido}butanoic acid
(2S)-3-methyl-2-{8-thiatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5-sulfonamido}butanoic acid
DSV
N-(dibenzo[b,d]thiophene-3-sulfonyl) valine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.7±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±31.8 °C
Index of Refraction: 1.674
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.61
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

Click to predict properties on the Chemicalize site


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