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Chemical ID: 6045899
Chemical ID:
6045899
Name [?]:
1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILES [?]:
CCCCN1CC(C(C(C1CO)O)O)O
InChi [?]:
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,6,11,10,7,9,8,5,12,15,13,14/rA:15cCCCCNCCCCCCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s10;s11;s9;s8;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 5.0402 |
Area: | 398.082 |
Solvation: | -4.91185 |
Coulombic: | -73.0169 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.278 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.63 |
LogP (Chemaxon): | -0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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