Chemical ID: 6693474

c1[nH]c2c(c(=O)n1)ncn2C3C(C(C(O3)CO)OP(=O)(O)O)O
Chemical ID:
6693474
Name [?]:
[4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-tetrahydrofuran-3-yl]oxyphosphonic acid
SMILES [?]:
c1[nH]c2c(c(=O)n1)ncn2C3C(C(C(O3)CO)OP(=O)(O)O)O
InChi [?]:
InChI=1/C10H13N4O8P/c15-1-4-7(22-23(18,19)20)6(16)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,4,12,13,3,5,11,2,7,8,10,17,23,6,20,21,22,15,18,19/E:(18,19,20)/rA:23cCNCCCONNCNCCCCOCOOPOOOO/rB:s1;s2;d3;s4;d5;d1s5;s4;d8;s3s9;s10;s11;s12;s13;s11s14;s14;s16;s13;s18;d19;s19;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N4O8P
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:4.1041
Area:495.834
Solvation:-8.29176
Coulombic:-131.364
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.206
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:-3.07
LogP (Chemaxon):-3.98

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