(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol

C9H18O5S2 — CID 6572336

IUPAC(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1SCCCS1
InChIInChI=1S/C9H18O5S2/c10-4-5(11)6(12)7(13)8(14)9-15-2-1-3-16-9/h5-14H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyJDZPNIUYDWENDQ-WCTZXXKLSA-N
MW270.37 g/mol
LogP-1.38
Rot. Bonds5

About (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol

(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol (PubChem CID 6572336) has the molecular formula C9H18O5S2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
PubChem CID6572336
Molecular FormulaC9H18O5S2
Molecular Weight270.37 g/mol
Exact Mass270.06
IUPAC Name(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1SCCCS1
InChIInChI=1S/C9H18O5S2/c10-4-5(11)6(12)7(13)8(14)9-15-2-1-3-16-9/h5-14H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyJDZPNIUYDWENDQ-WCTZXXKLSA-N
XLogP-1.38
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol (CID 6572336) is (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1SCCCS1.
What is the InChIKey of (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The InChIKey is JDZPNIUYDWENDQ-WCTZXXKLSA-N. The full InChI is InChI=1S/C9H18O5S2/c10-4-5(11)6(12)7(13)8(14)9-15-2-1-3-16-9/h5-14H,1-4H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
(1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol has a molecular weight of 270.37 g/mol, XLogP of -1.38, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-1-(1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 6572336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).