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Chemical ID: 5247902
Chemical ID:
5247902
Name [?]:
(2,3-dihydroxy-3-oxoniocarbonyl-propanoyl)oxonium
SMILES [?]:
C(C(C(=O)[OH2+])O)(C(=O)[OH2+])O
InChi [?]:
InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p+2
InChi Info:
AuxInfo=1/1/N:1,2,7,3,10,6,8,9,4,5/E:(1,2)(3,4)(5,6)(7,8,9,10)/gE:(1,2)/rA:10cCCCOO+OCOO+O/rB:s1;s2;d3;s3;s2;s1;d7;s7;s1;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H8O6+2 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -120.589 |
Area: | 291.025 |
Solvation: | -127.865 |
Coulombic: | -54.3354 |
Bond Count [?]
All: | 9 |
Single: | 7 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 152.103 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -2.24 |
LogP (Chemaxon): | -1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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