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Chemical ID: 6687485
Chemical ID:
6687485
Name [?]:
phosphonomethylaminomethylphosphonic acid
SMILES [?]:
C(NCP(=O)(O)O)P(=O)(O)O
InChi [?]:
InChI=1/C2H9NO6P2/c4-10(5,6)1-3-2-11(7,8)9/h3H,1-2H2,(H2,4,5,6)(H2,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,9,10,11,5,6,7,8,4/E:(1,2)(4,5,6,7,8,9)(10,11)/gE:(1,2)/rA:11nCNCPOOOPOOO/rB:s1;s2;s3;d4;s4;s4;s1;d8;s8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C2H9NO6P2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.19126 |
Area: | 341.898 |
Solvation: | -5.35618 |
Coulombic: | -88.3603 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.044 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -3.95 |
LogP (Chemaxon): | -2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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