hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane

C8H17O2PS — CID 87199281

IUPAChydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane
SMILES[3H][C@H]1C[C@@H](C)[C@@H](CCP(C)(O)=S)O1
InChIInChI=1S/C8H17O2PS/c1-7-3-5-10-8(7)4-6-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12)/t7-,8-,11?/m1/s1/i5T/t5-,7+,8+,11?/m0
InChIKeyVOFULPBIPFYZIY-BIQRZIGBSA-N
MW210.27 g/mol
LogP1.82
Rot. Bonds3

About hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane

hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane (PubChem CID 87199281) has the molecular formula C8H17O2PS and a molecular weight of 210.27 g/mol. Its IUPAC name is hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane
PubChem CID87199281
Molecular FormulaC8H17O2PS
Molecular Weight210.27 g/mol
Exact Mass210.08
IUPAC Namehydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane
SMILES[3H][C@H]1C[C@@H](C)[C@@H](CCP(C)(O)=S)O1
InChIInChI=1S/C8H17O2PS/c1-7-3-5-10-8(7)4-6-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12)/t7-,8-,11?/m1/s1/i5T/t5-,7+,8+,11?/m0
InChIKeyVOFULPBIPFYZIY-BIQRZIGBSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane (CID 87199281) is hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane is [3H][C@H]1C[C@@H](C)[C@@H](CCP(C)(O)=S)O1.
What is the InChIKey of hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane?
The InChIKey is VOFULPBIPFYZIY-BIQRZIGBSA-N. The full InChI is InChI=1S/C8H17O2PS/c1-7-3-5-10-8(7)4-6-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12)/t7-,8-,11?/m1/s1/i5T/t5-,7+,8+,11?/m0.
What are the key properties of hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane?
hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane has a molecular weight of 210.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-[2-[(2R,3R,5S)-3-methyl-5-tritiooxolan-2-yl]ethyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).