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Chemical ID: 7225249
Chemical ID:
7225249
Name [?]:
2-(6-amino-1H-purin-9-yl)-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-3,4-diol
SMILES [?]:
c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)[O-])O)O)N
InChi [?]:
InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,23,2,6,9,7,21,22,18,19,20,16,14,17/E:(18,19,20)/rA:23cCN+CCCNNCNCCCCOCOPOOO-OON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N5O7P |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -49.4138 |
Area: | 518.22 |
Solvation: | -62.3693 |
Coulombic: | -103.191 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -3.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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