(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane

C9H20O5P2 — CID 58640883

IUPAC(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
SMILESCP(C)(=O)OC[C@@H]1CCC(OP(C)(C)=O)O1
InChIInChI=1S/C9H20O5P2/c1-15(2,10)12-7-8-5-6-9(13-8)14-16(3,4)11/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyHKQKJZBKGMHKKR-IENPIDJESA-N
MW270.20 g/mol
LogP2.60
Rot. Bonds5

About (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane

(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane (PubChem CID 58640883) has the molecular formula C9H20O5P2 and a molecular weight of 270.20 g/mol. Its IUPAC name is (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane.

Molecular Properties

Compound Name(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
PubChem CID58640883
Molecular FormulaC9H20O5P2
Molecular Weight270.20 g/mol
Exact Mass270.08
IUPAC Name(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane
SMILESCP(C)(=O)OC[C@@H]1CCC(OP(C)(C)=O)O1
InChIInChI=1S/C9H20O5P2/c1-15(2,10)12-7-8-5-6-9(13-8)14-16(3,4)11/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyHKQKJZBKGMHKKR-IENPIDJESA-N
XLogP2.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane?
The IUPAC name of (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane (CID 58640883) is (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane.
What is the SMILES notation for (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane?
The canonical SMILES for (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane is CP(C)(=O)OC[C@@H]1CCC(OP(C)(C)=O)O1.
What is the InChIKey of (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane?
The InChIKey is HKQKJZBKGMHKKR-IENPIDJESA-N. The full InChI is InChI=1S/C9H20O5P2/c1-15(2,10)12-7-8-5-6-9(13-8)14-16(3,4)11/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane?
(5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane has a molecular weight of 270.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-dimethylphosphoryloxy-5-(dimethylphosphoryloxymethyl)oxolane is sourced from PubChem (CID 58640883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).