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Chemical ID: 5788542
Chemical ID:
5788542
Name [?]:
1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydrazino-pyrimidin-2-one
SMILES [?]:
c1cn(c(=O)nc1NN)C2C(C(C(O2)CO)O)O
InChi [?]:
InChI=1/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)
InChi Info:
AuxInfo=1/1/N:1,2,15,13,7,12,11,10,4,9,6,8,3,16,17,18,5,14/rA:18cCCNCONCNNCCCCOCOOO/rB:d1;s2;s3;d4;s4;s1d6;s7;s8;s3;s10;s11;s12;s10s13;s13;s15;s12;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N4O5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 2.6616 |
Area: | 414.913 |
Solvation: | -7.71123 |
Coulombic: | -98.7772 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.231 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 7 |
XLogP: | -3.19 |
LogP (Chemaxon): | -0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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