Peracitol
PubChem CID: 101748
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| Compound Synonyms | Peracitol, Heptitol, heptane-1,2,3,4,5,6,7-heptol, D-GLYCERO-L-GULO-HEPTITOL, D-glycero-D-gulo-Heptitol, D-glycero-D-gulo-Heptatole, 3343-95-1, PERSEITOL (D), meso-glycero-gulo-Heptitol, NSC1976, 1069-00-7, DTXSID10897428, glycero-gulo-Heptitol, meso-, Persitol, a-Mannoheptitol, a heptitol, NSC-1976, Heptitol #, alpha-Glucoheptitol, .alpha.-Glucoheptitol, Spectrum_000266, SpecPlus_000245, Spectrum2_001756, Spectrum3_000711, Spectrum4_001530, Spectrum5_000040, BSPBio_002521, KBioGR_001940, KBioSS_000746, SPECTRUM202130, DivK1c_006341, SCHEMBL678226, SPBio_001892, CHEMBL1597273, KBio1_001285, KBio2_000746, KBio2_003314, KBio2_005882, KBio3_001741, DTXSID50871742, NSC1665, CHEBI:176747, NSC-1665, CCG-38807, HY-N10374, NSC111937, NSC224284, ZINC03979003, AKOS024319424, NSC-224284, NCGC00095934-01, NCGC00095934-02, CS-0498458, SR-05000002454, SR-05000002454-1 |
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| Topological Polar Surface Area | 142.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 14.0 |
| Description | Occurs in the edible chichitake mushroom (Lactarius volemus). Widely distributed in plants. D-Glycero-D-manno-heptitol is found in mushrooms and avocado. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptane-1,2,3,4,5,6,7-heptol |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -3.7 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C7H16O7 |
| Inchi Key | OXQKEKGBFMQTML-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | a-Sedoheptitol, b-Mannoheptitol, D-glycero-D-talo-Heptitol, Volemitol, a-Mannoheptitol, D-glycero-D-gulo-Heptatole, D-glycero-D-gulo-Heptitol, D-glycero-L-gulo-Heptitol, Heptitol, L-glycero-D-manno-Heptitol, meso-glycero-gulo-Heptitol, Perseitol, Perseitol (D), Persitol, L-glycero-D-Mannoheptitol, Perseitol, (L-galacto)-isomer, Perseitol,. (L-glycero-D-galacto)-isomer, D-Glycero-D-galacto-heptitol |
| Compound Name | Peracitol |
| Kingdom | Organic compounds |
| Exact Mass | 212.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 212.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2 |
| Smiles | C(C(C(C(C(C(CO)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sugar alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all