General Information of the Compound
| Compound ID |
CP0204271
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| Compound Name |
(2S)-2-(phosphonomethyl)pentanedioic acid
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| Structure |
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| Formula |
C6H11O7P
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| Molecular Weight |
226.121
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| Canonical SMILES |
OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O
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| InChI |
InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1
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| InChIKey |
ISEYJGQFXSTPMQ-SCSAIBSYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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