[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol

C6H12O6S — CID 15417110

IUPAC[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
SMILESO=S1(=O)O[C@H](CO)CC[C@@H](CO)O1
InChIInChI=1S/C6H12O6S/c7-3-5-1-2-6(4-8)12-13(9,10)11-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyIJEGBNWUGAXYIE-WDSKDSINSA-N
MW212.22 g/mol
LogP-1.22
Rot. Bonds2

About [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol

[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol (PubChem CID 15417110) has the molecular formula C6H12O6S and a molecular weight of 212.22 g/mol. Its IUPAC name is [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
PubChem CID15417110
Molecular FormulaC6H12O6S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC Name[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
SMILESO=S1(=O)O[C@H](CO)CC[C@@H](CO)O1
InChIInChI=1S/C6H12O6S/c7-3-5-1-2-6(4-8)12-13(9,10)11-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyIJEGBNWUGAXYIE-WDSKDSINSA-N
XLogP-1.22
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873
[(2R,5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-2-yl]methanol
CID 178190737
ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
CID 174792194
[5-(nitrosomethyl)oxolan-2-yl]methanol
CID 129146326
4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide
CID 146363994
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
CID 11275189
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
[5-(oxiran-2-yl)oxolan-2-yl]methanol
CID 123518659
CID 169187680
CID 169187680
6-(hydroxymethyl)oxane-2,3-diol
CID 22415851
(5-methoxyoxan-2-yl)methanol
CID 54040462

Frequently Asked Questions

What is the IUPAC name of [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol?
The IUPAC name of [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol (CID 15417110) is [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol.
What is the SMILES notation for [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol?
The canonical SMILES for [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol is O=S1(=O)O[C@H](CO)CC[C@@H](CO)O1.
What is the InChIKey of [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol?
The InChIKey is IJEGBNWUGAXYIE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O6S/c7-3-5-1-2-6(4-8)12-13(9,10)11-5/h5-8H,1-4H2/t5-,6-/m0/s1.
What are the key properties of [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol?
[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol has a molecular weight of 212.22 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol is sourced from PubChem (CID 15417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).