(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid

C5H8O11P2 — CID 91125864

IUPAC(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid
SMILESO=C(C(=O)C(O)P(=O)(O)O)C(=O)C(O)P(=O)(O)O
InChIInChI=1S/C5H8O11P2/c6-1(2(7)4(9)17(11,12)13)3(8)5(10)18(14,15)16/h4-5,9-10H,(H2,11,12,13)(H2,14,15,16)
InChIKeyKKVRHCARUDVMRU-UHFFFAOYSA-N
MW306.06 g/mol
LogP-3.31
Rot. Bonds6

About (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid

(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid (PubChem CID 91125864) has the molecular formula C5H8O11P2 and a molecular weight of 306.06 g/mol. Its IUPAC name is (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid.

Molecular Properties

Compound Name(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid
PubChem CID91125864
Molecular FormulaC5H8O11P2
Molecular Weight306.06 g/mol
Exact Mass305.95
IUPAC Name(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid
SMILESO=C(C(=O)C(O)P(=O)(O)O)C(=O)C(O)P(=O)(O)O
InChIInChI=1S/C5H8O11P2/c6-1(2(7)4(9)17(11,12)13)3(8)5(10)18(14,15)16/h4-5,9-10H,(H2,11,12,13)(H2,14,15,16)
InChIKeyKKVRHCARUDVMRU-UHFFFAOYSA-N
XLogP-3.31
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.06
LogP ≤ 5-3.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-phosphonoacetate
CID 23615312
dihydroxymethylphosphonic acid
CID 13034651
2-dimethylphosphoryl-2-hydroxyacetamide
CID 13309451
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
aminophosphonic acid;rhenium
CID 174387588
2-amino-2-phosphonoacetic acid
CID 14104870
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645
(E)-4-hydroxy-2-[hydroxy(phosphono)methyl]-4-oxobut-2-enoate
CID 170514960
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
CID 158028853
phosphono 2,2-dihydroxyacetate
CID 18352457
hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
bis(carbamoylamino)methylphosphonic acid
CID 88731403

Frequently Asked Questions

What is the IUPAC name of (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid?
The IUPAC name of (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid (CID 91125864) is (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid.
What is the SMILES notation for (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid?
The canonical SMILES for (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid is O=C(C(=O)C(O)P(=O)(O)O)C(=O)C(O)P(=O)(O)O.
What is the InChIKey of (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid?
The InChIKey is KKVRHCARUDVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O11P2/c6-1(2(7)4(9)17(11,12)13)3(8)5(10)18(14,15)16/h4-5,9-10H,(H2,11,12,13)(H2,14,15,16).
What are the key properties of (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid?
(1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid has a molecular weight of 306.06 g/mol, XLogP of -3.31, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dihydroxy-2,3,4-trioxo-5-phosphonopentyl)phosphonic acid is sourced from PubChem (CID 91125864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).