(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C10H18O6S2 — CID 57186475

IUPAC(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(C2SCCCS2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O6S2/c11-4-5-6(12)7(13)8(14)10(15,16-5)9-17-2-1-3-18-9/h5-9,11-15H,1-4H2/t5-,6-,7+,8-,10-/m1/s1
InChIKeyRPUUFRWMVJYHPF-HPFNVAMJSA-N
MW298.38 g/mol
LogP-1.65
Rot. Bonds2

About (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57186475) has the molecular formula C10H18O6S2 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57186475
Molecular FormulaC10H18O6S2
Molecular Weight298.38 g/mol
Exact Mass298.05
IUPAC Name(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(C2SCCCS2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O6S2/c11-4-5-6(12)7(13)8(14)10(15,16-5)9-17-2-1-3-18-9/h5-9,11-15H,1-4H2/t5-,6-,7+,8-,10-/m1/s1
InChIKeyRPUUFRWMVJYHPF-HPFNVAMJSA-N
XLogP-1.65
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

Thiodigalactoside
CID 119138
Thiocellobiose
CID 446272
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methylsulfanyloxan-2-yl]sulfanyl-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 5288723
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-3,4,5-triol
CID 493592
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-3,4,5-triol
CID 18646844
6-(Hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2,3,5-triol
CID 455950
L-Gul(b1-6)5-thio-a-Glc
CID 90664132
5-thio-Glc(a1-1a)Glc
CID 168274504
(2S,3R,4S,5R,6R)-2-[(3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172447176
(2S,3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172470721
Glucosalsuginin
CID 101506902
Thionigerose
CID 72432

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 57186475) is (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@@](O)(C2SCCCS2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is RPUUFRWMVJYHPF-HPFNVAMJSA-N. The full InChI is InChI=1S/C10H18O6S2/c11-4-5-6(12)7(13)8(14)10(15,16-5)9-17-2-1-3-18-9/h5-9,11-15H,1-4H2/t5-,6-,7+,8-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 298.38 g/mol, XLogP of -1.65, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-(1,3-dithian-2-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57186475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).