Chemical ID: 3968707

C1CC(C2C(C(CN2C1)O)O)O
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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