Chemical ID: 5817179

C(C(C(C1C(C(C(=O)O1)O)O)O)O)O
Chemical ID:
5817179
Name [?]:
3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)tetrahydrofuran-2-one
SMILES [?]:
C(C(C(C1C(C(C(=O)O1)O)O)O)O)O
InChi [?]:
InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,3,5,6,4,7,14,13,12,11,10,8,9/rA:14cCCCCCCCOOOOOOO/rB:s1;s2;s3;s4;s5;s6;d7;s4s7;s6;s5;s3;s2;s1;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O7
All Atoms:14
Heavy Atoms:14
Chiral Atoms:5
ZAP Information [?]
Total:0.731132
Area:358.829
Solvation:-8.2396
Coulombic:-100.541
Bond Count [?]
All:14
Single:13
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.166
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-2.73
LogP (Chemaxon):-2.16

Name Annotations

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Descriptor Annotations

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