Chemical ID: 5245320

c1nc(c2c(n1)n(cn2)CC(CO)O)NO
Chemical ID:
5245320
Name [?]:
3-(6-hydroxyaminopurin-9-yl)propane-1,2-diol
SMILES [?]:
c1nc(c2c(n1)n(cn2)CC(CO)O)NO
InChi [?]:
InChI=1/C8H11N5O3/c14-2-5(15)1-13-4-11-6-7(12-16)9-3-10-8(6)13/h3-5,14-16H,1-2H2,(H,9,10,12)
InChi Info:
AuxInfo=1/1/N:10,12,1,8,11,4,3,5,2,6,9,15,7,13,14,16/rA:16cCNCCCNNCNCCCOONO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s11;s3;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N5O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:3.52554
Area:397.031
Solvation:-6.40024
Coulombic:-73.4535
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.205
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-1.28
LogP (Chemaxon):-1.55

Name Annotations

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Descriptor Annotations

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