Chemical ID: 6915051

c1[nH]c(=O)c2c(n1)n(cn2)C3C(C(C(O3)C=O)O)O
Chemical ID:
6915051
Name [?]:
3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)-tetrahydrofuran-2-carbaldehyde
SMILES [?]:
c1[nH]c(=O)c2c(n1)n(cn2)C3C(C(C(O3)C=O)O)O
InChi [?]:
InChI=1/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h1-4,6-7,10,16-17H,(H,11,12,18)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,5,13,12,6,3,11,7,2,10,8,17,18,19,4,15/rA:19cCNCOCCNNCNCCCCOCOOO/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;s5d9;s8;s11;s12;s13;s11s14;s14;d16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N4O5
All Atoms:29
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:3.45331
Area:424.831
Solvation:-7.16747
Coulombic:-86.2486
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.21
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-1.59
LogP (Chemaxon):-2.01

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