Phospho gluconate
PubChem CID
18594432
Structure
Molecular Formula
Synonyms
- phospho gluconate
- Glucose-1-P
- SCHEMBL5042
- B7C2697E-A549-4E7C-BDBA-C944BE66D1C6
Molecular Weight
276.14 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-12-04
- Modify:2025-01-11
Description
Phospho gluconate has been reported in Streptomyces with data available.
Chemical Structure Depiction
phosphono (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C6H13O10P/c7-1-2(8)3(9)4(10)5(11)6(12)16-17(13,14)15/h2-5,7-11H,1H2,(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
IMLGFCBIORERST-SQOUGZDYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C([C@H]([C@H]([C@@H]([C@H](C(=O)OP(=O)(O)O)O)O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H13O10P
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.14 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-4.7
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
276.02463360 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
276.02463360 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
185 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
299
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IMLGFCBIORERST-SQOUGZDYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Phospho gluconatehttps://www.wikidata.org/wiki/Q105115742LOTUS Treehttps://lotus.naturalproducts.net/
- Springer Nature
- WikidataPhospho gluconatehttps://www.wikidata.org/wiki/Q105115742
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388891115https://pubchem.ncbi.nlm.nih.gov/substance/388891115
CONTENTS