[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate

C6H11O7PS-2 — CID 45266677

IUPAC[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate
SMILESCSC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/p-2/t3-,4-,5-,6-/m1/s1
InChIKeyJTFITTQBRJDSTL-KVTDHHQDSA-L
MW258.19 g/mol
LogP-2.36
Rot. Bonds4

About [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate

[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate (PubChem CID 45266677) has the molecular formula C6H11O7PS-2 and a molecular weight of 258.19 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate
PubChem CID45266677
Molecular FormulaC6H11O7PS-2
Molecular Weight258.19 g/mol
Exact Mass258.00
IUPAC Name[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate
SMILESCSC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/p-2/t3-,4-,5-,6-/m1/s1
InChIKeyJTFITTQBRJDSTL-KVTDHHQDSA-L
XLogP-2.36
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-Methylthioribose
CID 439904
S-methyl-5-thio-alpha-D-ribose 1-phosphate
CID 11988266
5-methylthio-D-ribose
CID 10313378
5-Methylthioribose 1-phosphate
CID 53477720
5-S-methyl-5-thio-alpha-D-ribofuranose
CID 5289397
GlyTouCan:G94421YA
CID 494
[(2S,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] dihydrogen phosphate
CID 440251
[(3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)tetrahydrofuran-2-yl] phosphate
CID 52940236
({3,4-Dihydroxy-5-[(methylsulfanyl)methyl]oxolan-2-yl}oxy)phosphonic acid
CID 465
GlyTouCan:G71227UL
CID 46875298
[3,4-Dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl]oxyphosphonic acid
CID 52940237
5-(Methylsulfanyl)ribose 1-phosphate
CID 172407806

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate?
The IUPAC name of [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate (CID 45266677) is [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate.
What is the SMILES notation for [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate?
The canonical SMILES for [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate is CSC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate?
The InChIKey is JTFITTQBRJDSTL-KVTDHHQDSA-L. The full InChI is InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/p-2/t3-,4-,5-,6-/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate?
[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate has a molecular weight of 258.19 g/mol, XLogP of -2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] phosphate is sourced from PubChem (CID 45266677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).