[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate

C6H16O7P2S — CID 88808083

IUPAC[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
SMILESCCCCCCOP(O)(=S)OOP(=O)(O)O
InChIInChI=1S/C6H16O7P2S/c1-2-3-4-5-6-11-15(10,16)13-12-14(7,8)9/h2-6H2,1H3,(H,10,16)(H2,7,8,9)
InChIKeyYWBXRCGOMOFNJC-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.84
Rot. Bonds9

About [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate

[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate (PubChem CID 88808083) has the molecular formula C6H16O7P2S and a molecular weight of 294.20 g/mol. Its IUPAC name is [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate.

Molecular Properties

Compound Name[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
PubChem CID88808083
Molecular FormulaC6H16O7P2S
Molecular Weight294.20 g/mol
Exact Mass294.01
IUPAC Name[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
SMILESCCCCCCOP(O)(=S)OOP(=O)(O)O
InChIInChI=1S/C6H16O7P2S/c1-2-3-4-5-6-11-15(10,16)13-12-14(7,8)9/h2-6H2,1H3,(H,10,16)(H2,7,8,9)
InChIKeyYWBXRCGOMOFNJC-UHFFFAOYSA-N
XLogP1.84
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170843971
CID 170843971

Frequently Asked Questions

What is the IUPAC name of [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate?
The IUPAC name of [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate (CID 88808083) is [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate.
What is the SMILES notation for [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate?
The canonical SMILES for [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate is CCCCCCOP(O)(=S)OOP(=O)(O)O.
What is the InChIKey of [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate?
The InChIKey is YWBXRCGOMOFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O7P2S/c1-2-3-4-5-6-11-15(10,16)13-12-14(7,8)9/h2-6H2,1H3,(H,10,16)(H2,7,8,9).
What are the key properties of [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate?
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate has a molecular weight of 294.20 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate is sourced from PubChem (CID 88808083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).