ChemSpider 2D Image | (4aS,7S)Hexahydro-2H-pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid 1,1-dioxide | C8H13NO4S

(4aS,7S)Hexahydro-2H-pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid 1,1-dioxide

  • Molecular FormulaC8H13NO4S
  • Average mass219.258 Da
  • Monoisotopic mass219.056534 Da
  • ChemSpider ID34066320

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7S)-1,1-dioxo-hexahydro-2H-1??-pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid
(4aS,7S)Hexahydro-2H-pyrrolo[1,2-b][1,2]thiazin-7-carbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
(4aS,7S)Hexahydro-2H-pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid 1,1-dioxide [ACD/IUPAC Name]
2H-Pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid, hexahydro-, 1,1-dioxide, (4aS,7S)- [ACD/Index Name]
608128-55-8 [RN]
Acide (4aS,7S) 1,1-dioxyde de hexahydro-2H-pyrrolo[1,2-b][1,2]thiazine-7-carboxylique [French] [ACD/IUPAC Name]
(4aS,7S)-Hexahydro-2H-pyrrolo(1,2-b)(1,2)thiazine-7-carboxylic acid 1,1-dioxide
(4aS,7S)-hexahydro-2H-pyrrolo[1,2-b][1,2]thiazine-7-carboxylic acid 1,1-dioxide
(4AS,7S)-hexahydro-2H-pyrrolo[1,2-b][1,2]-thiazine-7-carboxylic acid 1,1-dioxide
MFCD23106283

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 424.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±6.0 kJ/mol
    Flash Point: 210.2±29.3 °C
    Index of Refraction: 1.591
    Molar Refractivity: 49.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.24
    ACD/LogD (pH 5.5): -1.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 65.7±5.0 dyne/cm
    Molar Volume: 145.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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