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Chemical ID: 5245320
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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Experimental Annotations
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Descriptor Annotations
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