hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate

H6O9P3S+ — CID 173095788

IUPAChydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=[P+](O)S
InChIInChI=1S/H4O7P2.HO2PS/c1-8(2,3)7-9(4,5)6;1-3(2)4/h(H2,1,2,3)(H2,4,5,6);(H-,1,2,4)/p+1
InChIKeyYXQPWJPWBBAEEQ-UHFFFAOYSA-O
MW275.03 g/mol
LogP-0.25
Rot. Bonds2

About hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate

hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate (PubChem CID 173095788) has the molecular formula H6O9P3S+ and a molecular weight of 275.03 g/mol. Its IUPAC name is hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namehydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate
PubChem CID173095788
Molecular FormulaH6O9P3S+
Molecular Weight275.03 g/mol
Exact Mass274.89
IUPAC Namehydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=[P+](O)S
InChIInChI=1S/H4O7P2.HO2PS/c1-8(2,3)7-9(4,5)6;1-3(2)4/h(H2,1,2,3)(H2,4,5,6);(H-,1,2,4)/p+1
InChIKeyYXQPWJPWBBAEEQ-UHFFFAOYSA-O
XLogP-0.25
TPSA161.59 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.03
LogP ≤ 5-0.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
magnesium pyrophosphate hydrate
CID 176515646
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate?
The IUPAC name of hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate (CID 173095788) is hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate.
What is the SMILES notation for hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate?
The canonical SMILES for hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.O=[P+](O)S.
What is the InChIKey of hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate?
The InChIKey is YXQPWJPWBBAEEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/H4O7P2.HO2PS/c1-8(2,3)7-9(4,5)6;1-3(2)4/h(H2,1,2,3)(H2,4,5,6);(H-,1,2,4)/p+1.
What are the key properties of hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate?
hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate has a molecular weight of 275.03 g/mol, XLogP of -0.25, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-sulfanylphosphanium;phosphono dihydrogen phosphate is sourced from PubChem (CID 173095788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).