(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol

C6H10O3S — CID 21125538

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
SMILESOC[C@H]1SC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3S/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKeyAKBLXNBZRIPJFB-PBXRRBTRSA-N
MW162.21 g/mol
LogP-0.67
Rot. Bonds1

About (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol (PubChem CID 21125538) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
PubChem CID21125538
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol
SMILESOC[C@H]1SC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3S/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
InChIKeyAKBLXNBZRIPJFB-PBXRRBTRSA-N
XLogP-0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol (CID 21125538) is (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol is OC[C@H]1SC=C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol?
The InChIKey is AKBLXNBZRIPJFB-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H10O3S/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol has a molecular weight of 162.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-thiopyran-3,4-diol is sourced from PubChem (CID 21125538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).