Chemical ID: 6915819

C(C(C(C(CO)(C(=O)O)O)O)O)O
Chemical ID:
6915819
Name [?]:
2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoic acid
SMILES [?]:
C(C(C(C(CO)(C(=O)O)O)O)O)O
InChi [?]:
InChI=1/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,7,4,13,6,12,11,8,9,10/E:(11,12)/rA:13cCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s5;s4;d7;s7;s4;s3;s2;s1;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12O7
All Atoms:25
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:0.28266
Area:339.407
Solvation:-8.20251
Coulombic:-108.978
Bond Count [?]
All:12
Single:11
Double:1
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:196.155
H-Bond Donors:6
H-Bond Acceptors:7
XLogP:-4.09
LogP (Chemaxon):-2.3

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Descriptor Annotations

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