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Chemical ID: 4916085
Chemical ID:
4916085
Name [?]:
[2-(carbamoylmethyl-(oxoniocarbonylmethyl)amino)acetyl]oxonium
SMILES [?]:
C(C(=O)N)N(CC(=O)[OH2+])CC(=O)[OH2+]
InChi [?]:
InChI=1/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)/p+2
InChi Info:
AuxInfo=1/1/N:1,6,10,2,7,11,4,5,3,8,9,12,13/E:(2,3)(5,6)(10,11,12,13)/gE:(2,3)/rA:13nCCONNCCOO+CCOO+/rB:s1;d2;s2;s1;s5;s6;d7;s7;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12N2O5+2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -101.608 |
Area: | 349.133 |
Solvation: | -110.337 |
Coulombic: | -72.9457 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.17 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -2.52 |
LogP (Chemaxon): | -4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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