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Chemical ID: 6671688
Chemical ID:
6671688
Name [?]:
2,3,4,5-tetrahydroxy-6-phosphonatooxy-hexanoate
SMILES [?]:
C(C(C(C(C(C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-]
InChi [?]:
InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/p-3
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,12,11,10,9,7,8,15,16,17,13,14/E:(11,12)(13,14,15)/rA:17cCCCCCCOO-OOOOOPOO-O-/rB:s1;s2;s3;s4;s5;d6;s6;s5;s4;s3;s2;s1;s13;d14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10O10P-3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | -203.358 |
Area: | 427.907 |
Solvation: | -214.056 |
Coulombic: | 42.8459 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 273.111 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | -5.45 |
LogP (Chemaxon): | -2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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