Found 51 results

Search term: MF = 'C_{13}H_{22}INO_{3}'
ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,3aS,7aS)-2-(iodomethyl)hexahydrofuro[3,2-c]pyridine-5(4H)-carboxylate | C13H22INO3

2-Methyl-2-propanyl (2R,3aS,7aS)-2-(iodomethyl)hexahydrofuro[3,2-c]pyridine-5(4H)-carboxylate

  • Molecular FormulaC13H22INO3
  • Average mass367.223 Da
  • Monoisotopic mass367.064423 Da
  • ChemSpider ID28600611

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3aS,7aS)-2-(Iodométhyl)hexahydrofuro[3,2-c]pyridine-5(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2R,3aS,7aS)-2-(iodomethyl)hexahydrofuro[3,2-c]pyridine-5(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,3aS,7aS)-2-(iodmethyl)hexahydrofuro[3,2-c]pyridin-5(4H)-carboxylat [German] [ACD/IUPAC Name]
Furo[3,2-c]pyridine-5(4H)-carboxylic acid, hexahydro-2-(iodomethyl)-, 1,1-dimethylethyl ester, (2R,3aS,7aS)- [ACD/Index Name]
[H][C@]1(O2)CCN(C(OC(C)(C)C)=O)C[C@]1([H])C[C@@H]2CI
1391733-31-5 [RN]
1932796-91-2 [RN]
MFCD23378533
RAcemic-(2R,3aS,7aS)-tert-butyl 2-(iodomethyl)hexahydrofuro[3,2-c]pyridine-5(6H)-carboxylate
tert-butyl (2R,3aS,7aS)-2-(iodomethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-5-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 396.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.6±23.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.34
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 149.14
    ACD/KOC (pH 5.5): 1251.61
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 149.14
    ACD/KOC (pH 7.4): 1251.61
    Polar Surface Area: 39 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 40.4±3.0 dyne/cm
    Molar Volume: 249.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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