methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane

C10H20O4PS- — CID 58584297

IUPACmethyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)OC[C@H]1O[C@@H](C)CC1OP(C)([O-])=S
InChIInChI=1S/C10H21O4PS/c1-7(2)12-6-10-9(5-8(3)13-10)14-15(4,11)16/h7-10H,5-6H2,1-4H3,(H,11,16)/p-1/t8-,9?,10+,15?/m0/s1
InChIKeyRVQFYETVNCRGBC-HFXIDOFESA-M
MW267.31 g/mol
LogP1.27
Rot. Bonds5

About methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane

methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 58584297) has the molecular formula C10H20O4PS- and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID58584297
Molecular FormulaC10H20O4PS-
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Namemethyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)OC[C@H]1O[C@@H](C)CC1OP(C)([O-])=S
InChIInChI=1S/C10H21O4PS/c1-7(2)12-6-10-9(5-8(3)13-10)14-15(4,11)16/h7-10H,5-6H2,1-4H3,(H,11,16)/p-1/t8-,9?,10+,15?/m0/s1
InChIKeyRVQFYETVNCRGBC-HFXIDOFESA-M
XLogP1.27
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methylamino]phosphinate
CID 59991673
[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
CID 59991670
CID 59539992
CID 59539992
[(1S,3S)-2-hydroxy-3-methyl-5-propan-2-yloxycyclopentyl]methyl [(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] hydrogen phosphate
CID 59925342
(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
CID 58584292
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914417
[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
CID 59991582
CID 59991582
2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894603
methyl [(2R,4R,5S)-5-methyl-2-(propan-2-yloxymethyl)-4-sulfanyloxolan-3-yl] [(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl phosphate
CID 59925338
CID 59925402
CID 59925402

Frequently Asked Questions

What is the IUPAC name of methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane (CID 58584297) is methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane is CC(C)OC[C@H]1O[C@@H](C)CC1OP(C)([O-])=S.
What is the InChIKey of methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is RVQFYETVNCRGBC-HFXIDOFESA-M. The full InChI is InChI=1S/C10H21O4PS/c1-7(2)12-6-10-9(5-8(3)13-10)14-15(4,11)16/h7-10H,5-6H2,1-4H3,(H,11,16)/p-1/t8-,9?,10+,15?/m0/s1.
What are the key properties of methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane?
methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 267.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58584297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).