(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol

C18H28O6S8 — CID 102433274

IUPAC(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol
SMILESC[C@@H](O)CSC1=C(SC[C@@H](C)O)SC(=C2SC(SC[C@H](O)CO)=C(SC[C@H](O)CO)S2)S1
InChIInChI=1S/C18H28O6S8/c1-9(21)5-25-13-14(26-6-10(2)22)30-17(29-13)18-31-15(27-7-11(23)3-19)16(32-18)28-8-12(24)4-20/h9-12,19-24H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyGMGPZLWMWBUXSU-DDHJBXDOSA-N
MW596.95 g/mol
LogP3.73
Rot. Bonds14

About (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol

(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol (PubChem CID 102433274) has the molecular formula C18H28O6S8 and a molecular weight of 596.95 g/mol. Its IUPAC name is (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol
PubChem CID102433274
Molecular FormulaC18H28O6S8
Molecular Weight596.95 g/mol
Exact Mass595.97
IUPAC Name(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol
SMILESC[C@@H](O)CSC1=C(SC[C@@H](C)O)SC(=C2SC(SC[C@H](O)CO)=C(SC[C@H](O)CO)S2)S1
InChIInChI=1S/C18H28O6S8/c1-9(21)5-25-13-14(26-6-10(2)22)30-17(29-13)18-31-15(27-7-11(23)3-19)16(32-18)28-8-12(24)4-20/h9-12,19-24H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyGMGPZLWMWBUXSU-DDHJBXDOSA-N
XLogP3.73
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 53.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[2-[4,5-bis[[(2S)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2S)-2-hydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propan-2-ol
CID 101476313
(6R,7R)-2-[(6R,7R)-6,7-dihydroxy-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocin-2-ylidene]-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocine-6,7-diol
CID 10815402
(6S,7S)-2-[(6S,7S)-6,7-dihydroxy-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocin-2-ylidene]-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocine-6,7-diol
CID 100916906
3-[[(2Z)-2-[4-(3-hydroxypropylsulfanyl)-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]propan-1-ol
CID 10790776
3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(3-hydroxypropylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propan-1-ol
CID 15352108
(2R)-3-[[2-[4,5-bis[[(2R)-2,3-dihydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol
CID 102433272
(2R)-3-[[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol
CID 102433273

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol?
The IUPAC name of (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol (CID 102433274) is (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol is C[C@@H](O)CSC1=C(SC[C@@H](C)O)SC(=C2SC(SC[C@H](O)CO)=C(SC[C@H](O)CO)S2)S1.
What is the InChIKey of (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol?
The InChIKey is GMGPZLWMWBUXSU-DDHJBXDOSA-N. The full InChI is InChI=1S/C18H28O6S8/c1-9(21)5-25-13-14(26-6-10(2)22)30-17(29-13)18-31-15(27-7-11(23)3-19)16(32-18)28-8-12(24)4-20/h9-12,19-24H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol?
(2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol has a molecular weight of 596.95 g/mol, XLogP of 3.73, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[2-[4,5-bis[[(2R)-2-hydroxypropyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[(2R)-2,3-dihydroxypropyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]propane-1,2-diol is sourced from PubChem (CID 102433274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).