(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol

C12H23O8PS — CID 158822148

IUPAC(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol
SMILESCC1[C@H](C)O[C@H](CO)[C@@H]1OP(O)(=S)OC[C@H]1OCC(O)[C@H]1O
InChIInChI=1S/C12H23O8PS/c1-6-7(2)19-9(3-13)12(6)20-21(16,22)18-5-10-11(15)8(14)4-17-10/h6-15H,3-5H2,1-2H3,(H,16,22)/t6?,7-,8?,9+,10+,11+,12+,21?/m0/s1
InChIKeyGSESVJLWVFSXEI-LPUWAJEPSA-N
MW358.35 g/mol
LogP-0.86
Rot. Bonds6

About (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol

(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol (PubChem CID 158822148) has the molecular formula C12H23O8PS and a molecular weight of 358.35 g/mol. Its IUPAC name is (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol
PubChem CID158822148
Molecular FormulaC12H23O8PS
Molecular Weight358.35 g/mol
Exact Mass358.09
IUPAC Name(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol
SMILESCC1[C@H](C)O[C@H](CO)[C@@H]1OP(O)(=S)OC[C@H]1OCC(O)[C@H]1O
InChIInChI=1S/C12H23O8PS/c1-6-7(2)19-9(3-13)12(6)20-21(16,22)18-5-10-11(15)8(14)4-17-10/h6-15H,3-5H2,1-2H3,(H,16,22)/t6?,7-,8?,9+,10+,11+,12+,21?/m0/s1
InChIKeyGSESVJLWVFSXEI-LPUWAJEPSA-N
XLogP-0.86
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(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
[(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
2-[[hydroxy-[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894604
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
sodium [(3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 139597634
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
[hydroxy-[[(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
CID 59408115
CID 161101261
CID 161101261
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(2R,4S,5R)-2-[[(2R)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59163159

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol (CID 158822148) is (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol is CC1[C@H](C)O[C@H](CO)[C@@H]1OP(O)(=S)OC[C@H]1OCC(O)[C@H]1O.
What is the InChIKey of (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol?
The InChIKey is GSESVJLWVFSXEI-LPUWAJEPSA-N. The full InChI is InChI=1S/C12H23O8PS/c1-6-7(2)19-9(3-13)12(6)20-21(16,22)18-5-10-11(15)8(14)4-17-10/h6-15H,3-5H2,1-2H3,(H,16,22)/t6?,7-,8?,9+,10+,11+,12+,21?/m0/s1.
What are the key properties of (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol?
(2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol has a molecular weight of 358.35 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[hydroxy-[(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 158822148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).