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

C8H17O3PS — CID 58974553

IUPAChydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane
SMILES[3H]C1CC(OC)[C@@H](CCP(C)(O)=S)O1
InChIInChI=1S/C8H17O3PS/c1-10-7-3-5-11-8(7)4-6-12(2,9)13/h7-8H,3-6H2,1-2H3,(H,9,13)/t7?,8-,12?/m1/s1/i5T/t5?,7?,8-,12?
InChIKeyUFDXGTXHOTTZFJ-MCWMGFSTSA-N
MW226.27 g/mol
LogP1.20
Rot. Bonds4

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

hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane (PubChem CID 58974553) has the molecular formula C8H17O3PS and a molecular weight of 226.27 g/mol. Its IUPAC name is hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane
PubChem CID58974553
Molecular FormulaC8H17O3PS
Molecular Weight226.27 g/mol
Exact Mass226.07
IUPAC Namehydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane
SMILES[3H]C1CC(OC)[C@@H](CCP(C)(O)=S)O1
InChIInChI=1S/C8H17O3PS/c1-10-7-3-5-11-8(7)4-6-12(2,9)13/h7-8H,3-6H2,1-2H3,(H,9,13)/t7?,8-,12?/m1/s1/i5T/t5?,7?,8-,12?
InChIKeyUFDXGTXHOTTZFJ-MCWMGFSTSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59767681
CID 59767681
N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
CID 134836320
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
CID 161244881
[(2S,3R,5S)-2-(iodomethyl)-5-tritiooxolan-3-yl] acetate
CID 89019297
[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 88935779
methyl (2S,5S)-2-(hydroxymethyl)-5-tritiooxolane-3-carboxylate
CID 89172430
(5-methoxydithian-4-yl)oxy-methylphosphinic acid
CID 118243808
(2R)-3-methoxy-2-(methoxymethyl)oxane
CID 169023835
(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
CID 91388347
3-[[(2R,3R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-[[(2R,3R,5S)-3-hydroxy-5-tritiooxolan-2-yl]methoxy]phosphinothioyl]oxypropanenitrile
CID 90707760
[(2R,5S)-2-[(2,2,2-trichloro-1-hydroxyethoxy)methyl]-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 89240280

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane (CID 58974553) is hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane is [3H]C1CC(OC)[C@@H](CCP(C)(O)=S)O1.
What is the InChIKey of hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is UFDXGTXHOTTZFJ-MCWMGFSTSA-N. The full InChI is InChI=1S/C8H17O3PS/c1-10-7-3-5-11-8(7)4-6-12(2,9)13/h7-8H,3-6H2,1-2H3,(H,9,13)/t7?,8-,12?/m1/s1/i5T/t5?,7?,8-,12?.
What are the key properties of hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane?
hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 226.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58974553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).