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Chemical ID: 3968707
Chemical ID:
3968707
Name [?]:
1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
SMILES [?]:
C1CC(C2C(C(CN2C1)O)O)O
InChi [?]:
InChI=1/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2
InChi Info:
AuxInfo=1/0/N:1,2,9,7,3,6,4,5,8,12,10,11/rA:12cCCCCCCCNCOOO/rB:s1;s2;s3;s4;s5;s6;s4s7;s1s8;s6;s5;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 3.28373 |
Area: | 313.405 |
Solvation: | -4.55139 |
Coulombic: | -54.7753 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 173.21 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -1.19 |
LogP (Chemaxon): | -0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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