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Chemical ID: 6046556
Chemical ID:
6046556
Name [?]:
2-amino-6-methyl-tetrahydropyran-3,4,5-triol
SMILES [?]:
CC1C(C(C(C(O1)N)O)O)O
InChi [?]:
InChI=1/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,8,11,10,9,7/rA:11cCCCCCCONOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;s4;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H13NO4 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 1.79613 |
Area: | 299.935 |
Solvation: | -5.70225 |
Coulombic: | -69.0163 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 163.172 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | -1.49 |
LogP (Chemaxon): | -1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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