CID 156594754

C6H15KO10P — CID 156594754

IUPAC—
SMILESO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[K]
InChIInChI=1S/C6H13O9P.K.H2O/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;1H2/t3-,4+,5+,6+;;/m0../s1
InChIKeyVUTHNBFQDYDDJK-FAOVPRGRSA-N
MW317.25 g/mol
LogP-4.47
Rot. Bonds7

About CID 156594754

CID 156594754 (PubChem CID 156594754) has the molecular formula C6H15KO10P and a molecular weight of 317.25 g/mol.

Molecular Properties

Compound NameCID 156594754
PubChem CID156594754
Molecular FormulaC6H15KO10P
Molecular Weight317.25 g/mol
Exact Mass317.00
IUPAC Name—
SMILESO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[K]
InChIInChI=1S/C6H13O9P.K.H2O/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;1H2/t3-,4+,5+,6+;;/m0../s1
InChIKeyVUTHNBFQDYDDJK-FAOVPRGRSA-N
XLogP-4.47
TPSA196.25 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.25
LogP ≤ 5-4.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 131881916
CID 131881916
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87521417
CID 89401296
CID 89401296
[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo(513C)pentyl] dihydrogen phosphate
CID 14029335
2,3,4,5,6-pentahydroxyhexanal;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 170312997
O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)
CID 87931146
O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87280261
(2-hydroxy-3-oxopropyl) dihydrogen phosphate;[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 162052585
O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 87279976
[(2S,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
CID 46936836
(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate;phosphoric acid
CID 175031985
2,3,4,5,6-pentahydroxyhexanoic acid;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 175010612

Frequently Asked Questions

What is the IUPAC name of CID 156594754?
The IUPAC name of CID 156594754 (CID 156594754) is not available.
What is the SMILES notation for CID 156594754?
The canonical SMILES for CID 156594754 is O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[K].
What is the InChIKey of CID 156594754?
The InChIKey is VUTHNBFQDYDDJK-FAOVPRGRSA-N. The full InChI is InChI=1S/C6H13O9P.K.H2O/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;1H2/t3-,4+,5+,6+;;/m0../s1.
What are the key properties of CID 156594754?
CID 156594754 has a molecular weight of 317.25 g/mol, XLogP of -4.47, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156594754 is sourced from PubChem (CID 156594754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).