D-Lombricine
PubChem CID: 439556
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| Compound Synonyms | D-Lombricine, Lombricine, D-, YMK242B63W, UNII-YMK242B63W, 79342-60-2, D-Serine, 2-((aminoiminomethyl)amino)ethyl hydrogen phosphate (ester), O(3)-([2-guanidinoethoxy]phosphono)-D-serine, (2R)-2-Amino-3-(2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl)oxypropanoic acid, (2R)-2-amino-3-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxypropanoic acid, O-{[2-(carbamimidamido)ethoxy](hydroxy)phosphoryl}-D-serine, D-Serine, 2-[(aminoiminomethyl)amino]ethyl hydrogen phosphate (ester), CHEBI:32969, DTXSID101156421, C01726, Q6669434 |
|---|---|
| Topological Polar Surface Area | 183.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxypropanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | -6.2 |
| Molecular Formula | C6H15N4O6P |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSDBGCKBBJVPNC-SCSAIBSYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.204 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.977 |
| Compound Name | D-Lombricine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.073 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 270.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.7202716000000002 |
| Inchi | InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1 |
| Smiles | C(COP(=O)(O)OC[C@H](C(=O)O)N)N=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Libanotis Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mallotus Philippensis (Plant) Rel Props:Source_db:cmaup_ingredients