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Search term: SSJXOYGUMNWMDJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | S-[(2R)-2-Acetamido-3-amino-3-oxopropyl] 2,2-dimethyl-3-(nitrooxy)propanethioate | C10H17N3O6S

S-[(2R)-2-Acetamido-3-amino-3-oxopropyl] 2,2-dimethyl-3-(nitrooxy)propanethioate

  • Molecular FormulaC10H17N3O6S
  • Average mass307.323 Da
  • Monoisotopic mass307.083801 Da
  • ChemSpider ID29303626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,2-Diméthyl-3-(nitrooxy)propanethioate de S-[(2R)-2-acétamido-3-amino-3-oxopropyle] [French] [ACD/IUPAC Name]
Propanethioic acid, 2,2-dimethyl-3-(nitrooxy)-, S-[(2R)-2-(acetylamino)-3-amino-3-oxopropyl] ester [ACD/Index Name]
S-[(2R)-2-Acetamido-3-amino-3-oxopropyl] 2,2-dimethyl-3-(nitrooxy)propanethioate [ACD/IUPAC Name]
S-[(2R)-2-Acetamido-3-amino-3-oxopropyl]-2,2-dimethyl-3-(nitrooxy)propanthioat [German] [ACD/IUPAC Name]
(R)-S-(2-acetamido-3-amino-3-oxopropyl) 2,2-dimethyl-3-(nitrooxy)propanethioate
1334549-56-2 [RN]
AKOS016035471
MFCD30177700
S-[(2R)-2-acetamido-3-amino-3-oxopropyl] 2,2-dimethyl-3-nitrooxypropanethioate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 551.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 287.5±30.1 °C
    Index of Refraction: 1.529
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.59
    ACD/KOC (pH 5.5): 68.72
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.59
    ACD/KOC (pH 7.4): 68.72
    Polar Surface Area: 170 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 231.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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