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Chemical ID: 3967176
Chemical ID:
3967176
Name [?]:
2-amino-3-phosphono-propanoic acid
SMILES [?]:
C(C(C(=O)O)N)P(=O)(O)O
InChi [?]:
InChI=1/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,3,6,4,5,8,9,10,7/E:(5,6)(7,8,9)/rA:10cCCCOONPOOO/rB:s1;s2;d3;s3;s2;s1;d7;s7;s7;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H8NO5P |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 3.42885 |
Area: | 307.889 |
Solvation: | -4.26839 |
Coulombic: | -76.4459 |
Bond Count [?]
All: | 9 |
Single: | 7 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 169.073 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -4.77 |
LogP (Chemaxon): | -2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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