Chemical ID: 6694849

c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)[nH]c(=O)[nH]c2=O
Chemical ID:
6694849
Name [?]:
9-(3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-8-yl)-3H-purine-2,6-dione
SMILES [?]:
c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)[nH]c(=O)[nH]c2=O
InChi [?]:
InChI=1/C10H11N4O8P/c15-5-6-3(1-20-23(18,19)22-6)21-9(5)14-2-11-4-7(14)12-10(17)13-8(4)16/h2-3,5-6,9,15H,1H2,(H,18,19)(H2,12,13,16,17)
InChi Info:
AuxInfo=1/1/N:11,1,9,3,7,8,4,22,6,19,2,18,21,5,17,23,20,14,16,12,10,15,13/E:(18,19)/rA:23cCNCCNCCCCOCOPOOOONCONCO/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s6s9;s9;s11;s12;d13;s8s13;s13;s7;s4;s18;d19;s19;s3s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N4O8P
All Atoms:23
Heavy Atoms:23
Chiral Atoms:5
ZAP Information [?]
Total:5.84023
Area:480.679
Solvation:-6.17674
Coulombic:-125.128
Bond Count [?]
All:26
Single:21
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:346.19
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-2.91
LogP (Chemaxon):-2.58

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