(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol

C8H16O3S — CID 59651583

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C)S[C@H](CO)[C@H]1O
InChIInChI=1S/C8H16O3S/c1-4-7(10)5(2)12-6(3-9)8(4)11/h4-11H,3H2,1-2H3/t4-,5+,6-,7-,8+/m1/s1
InChIKeyDRMBBLKAJNUUHR-UOLFYFMNSA-N
MW192.28 g/mol
LogP-0.16
Rot. Bonds1

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol (PubChem CID 59651583) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol
PubChem CID59651583
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol
SMILESC[C@@H]1[C@@H](O)[C@H](C)S[C@H](CO)[C@H]1O
InChIInChI=1S/C8H16O3S/c1-4-7(10)5(2)12-6(3-9)8(4)11/h4-11H,3H2,1-2H3/t4-,5+,6-,7-,8+/m1/s1
InChIKeyDRMBBLKAJNUUHR-UOLFYFMNSA-N
XLogP-0.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol (CID 59651583) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol is C[C@@H]1[C@@H](O)[C@H](C)S[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol?
The InChIKey is DRMBBLKAJNUUHR-UOLFYFMNSA-N. The full InChI is InChI=1S/C8H16O3S/c1-4-7(10)5(2)12-6(3-9)8(4)11/h4-11H,3H2,1-2H3/t4-,5+,6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol has a molecular weight of 192.28 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,6-dimethylthiane-3,5-diol is sourced from PubChem (CID 59651583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).