D-Isoleucine
PubChem CID: 76551
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| Compound Synonyms | D-Isoleucine, 319-78-8, (2R,3R)-2-amino-3-methylpentanoic acid, H-D-Ile-OH, Isoleucine, D-, (R)-Isoleucine, UNII-V87GJA0G54, V87GJA0G54, EINECS 206-269-2, MFCD00064221, BRN 1721793, ISOLEUCINE, (-)-, (2R,3R)-2-Amino-3-methylvaleric acid, DTXSID1046346, CHEBI:27730, 4-04-00-02774 (Beilstein Handbook Reference), (R)-2-Amino-(S)-3-methylvaleric acid, alloisoleucin, D-lsoleucine, (R)Isoleucine, Isoleucine, D- (8CI), (2R,3R)-2-Amino-3-methylpentanoic acid, (R)-Isoleucine, D-Ile, H-D-lle-OH, SCHEMBL159567, D-Isoleucine, >=98% (TLC), DTXCID701477645, DL-Isoleucine, 99%, FCC, FG, DL-Isoleucine, cell culture tested, HY-I1070, (2R, 3R)2Amino3methylpentanoic acid, AKOS006340929, DL-Isoleucine, ReagentPlus(R), 99%, FI09261, AC-22374, DS-18182, CS-0011143, NS00074124, C06418, DL-Isoleucine, Vetec(TM) reagent grade, 98%, EN300-101180, M03125, Q27103290, 6B147F4F-BD4E-4FC3-9B73-D1EC1622E02D, Z1203578023, (2R,3R)-2-Amino-3-methylpentanoic acid, H-D-Ile-OH, (2R,3R)-2-Amino-3-methylvaleric acid |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-amino-3-methylpentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C6H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGPKZVBTJJNPAG-RFZPGFLSSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.87 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.125 |
| Compound Name | D-Isoleucine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 131.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 131.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6283150000000002 |
| Inchi | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 |
| Smiles | CC[C@@H](C)[C@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients