XAN – xanthine
Name | ||
---|---|---|
WID | XAN |
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Name | xanthine |
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Traditional name | Xan | |
IUPAC name | 2,3,6,9-tetrahydro-1H-purine-2,6-dione | |
Cross references | ChEBI: 17712, PubChem: 3675, CAS: 69-89-6, ThreeDMET: B00099, KNApSAcK: C00019660, | |
Classification | ||
Type | modified_nucleobase |
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Structure | ||
Empirical formula (pH 7.5) | H4C5N4O2 | |
SMILES (pH 7.5) | O=C1NC2=C(N=CN2)C(=O)N1 | |
Charge (pH 7.5) | 0 | |
Is hydrophobic | False |
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Molecular weight (Da) | 152.11 |
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van der Waals volume (pH 7.5; Å3 molecule‑1) |
111.31 | |
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | 87.10 | |
pI | 3.79 | |
logP | -0.250 | |
logD (pH 7.5) | -0.250 | |
Concentrations | ||
Media composition (SP4; mM) | 0.00430 |
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Function | ||
Reaction participant |
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Metadata | ||
Created | 2012-10-01 15:07:09 | |
Last updated | 2012-10-01 15:12:36 |