3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide

O7P4S — CID 23413911

IUPAC3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide
SMILESO=P12OP3OP(O1)OP(=S)(O3)O2
InChIInChI=1S/O7P4S/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10
InChIKeyACYZUTRVPVQMEY-UHFFFAOYSA-N
MW267.96 g/mol
LogP2.91
Rot. Bonds

About 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide

3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide (PubChem CID 23413911) has the molecular formula O7P4S and a molecular weight of 267.96 g/mol. Its IUPAC name is 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide.

Molecular Properties

Compound Name3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide
PubChem CID23413911
Molecular FormulaO7P4S
Molecular Weight267.96 g/mol
Exact Mass267.83
IUPAC Name3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide
SMILESO=P12OP3OP(O1)OP(=S)(O3)O2
InChIInChI=1S/O7P4S/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10
InChIKeyACYZUTRVPVQMEY-UHFFFAOYSA-N
XLogP2.91
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.96
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide?
The IUPAC name of 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide (CID 23413911) is 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide.
What is the SMILES notation for 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide?
The canonical SMILES for 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide is O=P12OP3OP(O1)OP(=S)(O3)O2.
What is the InChIKey of 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide?
The InChIKey is ACYZUTRVPVQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/O7P4S/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10.
What are the key properties of 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide?
3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide has a molecular weight of 267.96 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-2,4,6,8,9,10-hexaoxa-1λ5,3λ5,5,7-tetraphosphatricyclo[3.3.1.13,7]decane 1-oxide is sourced from PubChem (CID 23413911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).