[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate

C6H15NO6P2S2 — CID 90737753

IUPAC[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
SMILESNP(=O)(OSSC1CCCCC1)OP(=O)(O)O
InChIInChI=1S/C6H15NO6P2S2/c7-14(8,12-15(9,10)11)13-17-16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11)
InChIKeyQBXWLMQBDYWJDL-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.81
Rot. Bonds6

About [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate

[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate (PubChem CID 90737753) has the molecular formula C6H15NO6P2S2 and a molecular weight of 323.27 g/mol. Its IUPAC name is [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate.

Molecular Properties

Compound Name[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
PubChem CID90737753
Molecular FormulaC6H15NO6P2S2
Molecular Weight323.27 g/mol
Exact Mass322.98
IUPAC Name[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
SMILESNP(=O)(OSSC1CCCCC1)OP(=O)(O)O
InChIInChI=1S/C6H15NO6P2S2/c7-14(8,12-15(9,10)11)13-17-16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11)
InChIKeyQBXWLMQBDYWJDL-UHFFFAOYSA-N
XLogP2.81
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957
cyclohexylsulfanylphosphonic acid
CID 19374027
(cyclohexyldisulfanyl) dihydrogen phosphite
CID 87475230
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
phosphono dihydrogen phosphate;silver
CID 131872547
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
methyl (cyclohexyldisulfanyl)formate
CID 88806501
dicyclohexyl [cyclohexyloxy(cyclohexylsulfanyloxy)phosphoryl] phosphate
CID 88808030
(1-amino-4-cyclohexylsulfanyl-1-phosphonobutyl)phosphonic acid;hydrate
CID 88619977
tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
CID 161428238
cyclohexylmethyl dihydrogen phosphate
CID 14982025

Frequently Asked Questions

What is the IUPAC name of [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate?
The IUPAC name of [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate (CID 90737753) is [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate.
What is the SMILES notation for [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate?
The canonical SMILES for [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate is NP(=O)(OSSC1CCCCC1)OP(=O)(O)O.
What is the InChIKey of [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate?
The InChIKey is QBXWLMQBDYWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6P2S2/c7-14(8,12-15(9,10)11)13-17-16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8)(H2,9,10,11).
What are the key properties of [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate?
[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate has a molecular weight of 323.27 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate is sourced from PubChem (CID 90737753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).