Chemical ID: 7238417

c1[nH]c(=O)c2c(n1)n(c[nH+]2)C3C(C4C(O3)COP(=O)(O4)[O-])O
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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