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Chemical ID: 7238417
Chemical ID:
7238417
Name [?]:
9-(9-hydroxy-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-8-yl)-1,7-dihydropurin-6-one
SMILES [?]:
c1[nH]c(=O)c2c(n1)n(c[nH+]2)C3C(C4C(O3)COP(=O)(O4)[O-])O
InChi [?]:
InChI=1/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,5,12,13,6,3,11,7,2,10,8,22,4,19,21,17,15,20,18/E:(17,18)/rA:22cCNCOCCNNCN+CCCCOCOPOOO-O/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;s5d9;s8;s11;s12;s13;s11s14;s14;s16;s17;d18;s13s18;s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N4O7P |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -44.5121 |
Area: | 464.915 |
Solvation: | -56.135 |
Coulombic: | -84.0232 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -2.89 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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