Chemical ID: 3964554

C1C(C(C(N1)C(CO)O)O)O
Chemical ID:
3964554
Name [?]:
2-(1,2-dihydroxyethyl)pyrrolidine-3,4-diol
SMILES [?]:
C1C(C(C(N1)C(CO)O)O)O
InChi [?]:
InChI=1/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,7,2,6,4,3,5,8,11,9,10/rA:11cCCCCNCCOOOO/rB:s1;s2;s3;s1s4;s4;s6;s7;s6;s3;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:4
ZAP Information [?]
Total:0.757602
Area:305.914
Solvation:-6.89024
Coulombic:-72.085
Bond Count [?]
All:11
Single:11
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.172
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:-2.43
LogP (Chemaxon):-1.87

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Descriptor Annotations

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