ChemSpider 2D Image | Biotin-2',2',3',3'-d4 | C10H12D4N2O3S

Biotin-2',2',3',3'-d4

  • Molecular FormulaC10H12D4N2O3S
  • Average mass248.335 Da
  • Monoisotopic mass248.113266 Da
  • ChemSpider ID48058837

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic-β,β,γ,γ-d4 acid, hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl](3,3,4,4-2H4)pentanoic acid [ACD/IUPAC Name]
5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl](3,3,4,4-2H4)pentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl](3,3,4,4-2H4)pentanoïque [French] [ACD/IUPAC Name]
Biotin-2',2',3',3'-d4
1217850-77-5 [RN]
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-3,3,4,4-tetradeuteriopentanoic acid
rac Biotin-d4
Vitamin B7-d4
Vitamin B8-d4
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 573.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.4 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±6.0 kJ/mol
    Flash Point: 300.7±25.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 60.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.12
    ACD/LogD (pH 5.5): 0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.98
    ACD/LogD (pH 7.4): -1.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 45.9±3.0 dyne/cm
    Molar Volume: 192.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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