ChemSpider 2D Image | 5,6,7,8-Tetrahydrofolate (RR, 2 stereocenters specified) | C19H23N7O6

5,6,7,8-Tetrahydrofolate (RR, 2 stereocenters specified)

  • Molecular FormulaC19H23N7O6
  • Average mass445.429 Da
  • Monoisotopic mass445.170990 Da
  • ChemSpider ID26329634

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5,6,7,8-Tetrahydrofolate (RR, 2 stereocenters specified)
Acide N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydro-6-ptéridinyl]méthyl}amino)benzoyl]-D-glutamique [French] [ACD/IUPAC Name]
D-Glutamic acid, N-[4-[[[(6R)-2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]methyl]amino]benzoyl]- [ACD/Index Name]
N-[4-({[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutamic acid [ACD/IUPAC Name]
N-[4-({[(6R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-D-glutaminsäure [German] [ACD/IUPAC Name]
(2R)-2-{[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
(6S)-5,6,7,8-tetrahydrofolate
(6S)-5,6,7,8-tetrahydropteroylglutamate
(6S)-H4folate
(6S)-tetrahydrofolate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.763
    Molar Refractivity: 107.8±0.5 cm3
    #H bond acceptors: 13
    #H bond donors: 9
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: -3.62
    ACD/LogD (pH 5.5): -5.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 207 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 80.7±7.0 dyne/cm
    Molar Volume: 261.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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