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Chemical ID: 3963952
Chemical ID:
3963952
Name [?]:
2-amino-5-phosphono-pentanoic acid
SMILES [?]:
C(CC(C(=O)O)N)CP(=O)(O)O
InChi [?]:
InChI=1/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,7,5,6,10,11,12,9/E:(7,8)(9,10,11)/rA:12cCCCCOONCPOOO/rB:s1;s2;s3;d4;s4;s3;s1;s8;d9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H12NO5P |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.74163 |
Area: | 367.221 |
Solvation: | -4.43889 |
Coulombic: | -77.5171 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.126 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -4.06 |
LogP (Chemaxon): | -2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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