Chemical ID: 3963952

C(CC(C(=O)O)N)CP(=O)(O)O
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

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