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Chemical ID: 6045431
Chemical ID:
6045431
Name [?]:
4-amino-8-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-pteridin-7-one
SMILES [?]:
Cc1c(=O)n(c2c(n1)c(ncn2)N)C3CC(C(O3)CO)O
InChi [?]:
InChI=1/C12H15N5O4/c1-5-12(20)17(8-2-6(19)7(3-18)21-8)11-9(16-5)10(13)14-4-15-11/h4,6-8,18-19H,2-3H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,19,11,2,16,17,14,7,9,6,3,13,10,12,8,5,20,21,4,18/rA:21cCCCONCCNCNCNNCCCCOCOO/rB:s1;s2;d3;s3;s5;s6;d2s7;d7;s9;d10;d6s11;s9;s5;s14;s15;s16;s14s17;s17;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N5O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.95633 |
Area: | 449.917 |
Solvation: | -5.29159 |
Coulombic: | -90.3601 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.279 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.77 |
LogP (Chemaxon): | -0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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