2,3,5,6,8-Pentahydroxy-1,4-naphthalenedione
PubChem CID: 135518074
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| Compound Synonyms | spinochrome D, 2,3,5,6,8-pentahydroxy-1,4-naphthoquinone, N7SYH8K2SN, 1143-11-9, 2,3,5,6,8-Pentahydroxy-1,4-naphthalenedione, UNII-N7SYH8K2SN, 1,4-Naphthalenedione, 2,3,5,6,8-pentahydroxy-, 2,3,5,6,8-pentahydroxynaphthalene-1,4-dione, 4,5,6,7,8-pentahydroxynaphthalene-1,2-dione, SCHEMBL10494205, SCHEMBL17603111, 2,5,6,7,8-pentahydroxy-1,4-naphthoquinone |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5,6,8-pentahydroxynaphthalene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 1.2 |
| Molecular Formula | C10H6O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYVDWYISUNRFCU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.542 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.05 |
| Compound Name | 2,3,5,6,8-Pentahydroxy-1,4-naphthalenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.011 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.011 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 238.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.333712670588235 |
| Inchi | InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1,11-13,16-17H |
| Smiles | C1=C(C2=C(C(=C1O)O)C(=O)C(=C(C2=O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients