[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol

C16H31O6PS — CID 59408106

IUPAC[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol
SMILESCO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1COP(C)(=S)O[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO
InChIInChI=1S/C16H31O6PS/c1-9-11(3)21-14(15(9)18-5)8-19-23(6,24)22-16-10(2)12(4)20-13(16)7-17/h9-17H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,23?/m0/s1
InChIKeyQGKIBLVBDYXGNF-NCTFQQEHSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds7

About [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol

[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol (PubChem CID 59408106) has the molecular formula C16H31O6PS and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol
PubChem CID59408106
Molecular FormulaC16H31O6PS
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol
SMILESCO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1COP(C)(=S)O[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO
InChIInChI=1S/C16H31O6PS/c1-9-11(3)21-14(15(9)18-5)8-19-23(6,24)22-16-10(2)12(4)20-13(16)7-17/h9-17H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,23?/m0/s1
InChIKeyQGKIBLVBDYXGNF-NCTFQQEHSA-N
XLogP2.18
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol with MolForge

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Related Compounds

CID 59905781
CID 59905781
[(2R,3R,5S)-3-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-4,5-dimethyloxolan-2-yl]methyl [(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl] phosphate
CID 59154052
(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-[2-(methoxymethyl)-4,5-dimethyloxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane;3-[(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-methylphosphoryl]oxy-2-(methoxymethyl)-4,5-dimethyloxolane
CID 159327711
(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol
CID 158822148
3-[[(2R,3R,5S)-2-[[[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphinothioyl]oxypropanenitrile
CID 59065524
[(2R,3S,4S,5S)-2-(dihydroxyphosphinothioyloxymethyl)-4,5-dimethyloxolan-3-yl] [(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methyl hydrogen phosphate
CID 59408121
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium
CID 118595337
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol (CID 59408106) is [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol is CO[C@H]1[C@@H](C)[C@H](C)O[C@@H]1COP(C)(=S)O[C@H]1[C@@H](C)[C@H](C)O[C@@H]1CO.
What is the InChIKey of [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol?
The InChIKey is QGKIBLVBDYXGNF-NCTFQQEHSA-N. The full InChI is InChI=1S/C16H31O6PS/c1-9-11(3)21-14(15(9)18-5)8-19-23(6,24)22-16-10(2)12(4)20-13(16)7-17/h9-17H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,23?/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol?
[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol has a molecular weight of 382.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol is sourced from PubChem (CID 59408106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).