Found 9 results

Search term: AVDUGNCTZRCAHH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S,5R,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide | C7H9NO6S

(4S,5R,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide

  • Molecular FormulaC7H9NO6S
  • Average mass235.214 Da
  • Monoisotopic mass235.015060 Da
  • ChemSpider ID75683106

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5R,6S)-4-Amino-2-thiabicyclo[3.1.0]hexan-4,6-dicarbonsäure-2,2-dioxid [German] [ACD/IUPAC Name]
(4S,5R,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide [ACD/IUPAC Name]
2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, 4-amino-, 2,2-dioxide, (4S,5R,6S)- [ACD/Index Name]
Acide (4S,5R,6S) 2,2-dioxyde de 4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 316.8±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 46.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 101.4±3.0 dyne/cm
Molar Volume: 124.5±3.0 cm3

Click to predict properties on the Chemicalize site


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