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Search term: NYQPLPNEESYGNO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Talotrexin | C27H27N9O6

Talotrexin

  • Molecular FormulaC27H27N9O6
  • Average mass573.560 Da
  • Monoisotopic mass573.208435 Da
  • ChemSpider ID320181

More details:

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

2-({4-Carboxy-4-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]butyl}carbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-({4-Carboxy-4-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]butyl}carbamoyl)benzoic acid [ACD/IUPAC Name]
2-({4-carboxy-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)amino]butyl}carbamoyl)benzoic acid
Acide 2-({4-carboxy-4-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl]amino}benzoyl)amino]butyl}carbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]- [ACD/Index Name]
Talotrexin [INN]
113857-87-7 [RN]
114246-94-5 [RN]
2-({4-CARBOXY-4-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}PHENYL)FORMAMIDO]BUTYL}CARBAMOYL)BENZOIC ACID
2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_006821 [DBID]
NCI60_011223 [DBID]
NSC623017 [DBID]
NSC633713 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.738
    Molar Refractivity: 152.8±0.3 cm3
    #H bond acceptors: 15
    #H bond donors: 9
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: -0.08
    ACD/LogD (pH 5.5): -3.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 248 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 90.8±3.0 dyne/cm
    Molar Volume: 379.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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