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Chemical ID: 6691438
Chemical ID:
6691438
Name [?]:
2-amino-5-[N-(hydroxy-oxido-phosphoryl)carbamimidoyl]amino-pentanoic acid
SMILES [?]:
C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)[O-]
InChi [?]:
InChI=1/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,3,4,10,7,11,9,12,5,6,14,15,16,13/E:(11,12)(13,14,15)/rA:16cCCCCOONCNCNNPOOO-/rB:s1;s2;s3;d4;s4;s3;s1;s8;s9;w10;s10;s12;d13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H14N4O5P- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -29.3284 |
Area: | 445.593 |
Solvation: | -40.4682 |
Coulombic: | -86.4698 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.173 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 9 |
XLogP: | -4.21 |
LogP (Chemaxon): | -6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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