CID 162407441

C18H30O7S — CID 162407441

IUPAC—
SMILESCCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@H]21
InChIInChI=1S/C18H30O7S/c1-2-26-16-15-14(13(20)12(11-19)23-16)24-17(7-3-5-9-21-17)18(25-15)8-4-6-10-22-18/h12-16,19-20H,2-11H2,1H3/t12-,13+,14+,15-,16+,17-,18-/m1/s1
InChIKeyPQJVWIPUQZYOGF-NYIQUJALSA-N
MW390.50 g/mol
LogP1.40
Rot. Bonds3

About CID 162407441

CID 162407441 (PubChem CID 162407441) has the molecular formula C18H30O7S and a molecular weight of 390.50 g/mol.

Molecular Properties

Compound NameCID 162407441
PubChem CID162407441
Molecular FormulaC18H30O7S
Molecular Weight390.50 g/mol
Exact Mass390.17
IUPAC Name—
SMILESCCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@H]21
InChIInChI=1S/C18H30O7S/c1-2-26-16-15-14(13(20)12(11-19)23-16)24-17(7-3-5-9-21-17)18(25-15)8-4-6-10-22-18/h12-16,19-20H,2-11H2,1H3/t12-,13+,14+,15-,16+,17-,18-/m1/s1
InChIKeyPQJVWIPUQZYOGF-NYIQUJALSA-N
XLogP1.40
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 140997218
(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 130874585
(1S,3S,4S,6S,7R,8S,10S)-6-ethylsulfanyl-1,10-dimethoxy-4-methyl-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-ol
CID 10783947
(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 102371924
(3aS,4R,6R,7R,7aS)-6-(hydroxymethyl)-2,2-dimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 11120535
(3aS,4R,6R,7R,7aR)-6-ethylsulfanyl-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 67062942
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-propylsulfanyloxane-3,4,5-triol
CID 14775982
N,N'-bis[(2S,3R,4R,5S,6R)-2-ethylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2,2-dimethylpropanediamide
CID 25242981
[(2S,4S,5R)-3-benzoyloxy-2-ethylsulfanyl-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
CID 177106735
dibutyltin;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-ethylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11814142
(2S,3S,5S)-2-[(2R,6R)-2-[(8R,11S)-11-hydroxy-10-(hydroxymethyl)spiro[4,5,6,7a,8,10,11,11a-octahydro-3H-pyrano[3,4-b][1,4]dioxonine-2,3'-oxetane]-8-yl]oxy-6-methylcyclohexyl]oxy-6-methyloxane-3,4,5-triol
CID 122695080

Frequently Asked Questions

What is the IUPAC name of CID 162407441?
The IUPAC name of CID 162407441 (CID 162407441) is not available.
What is the SMILES notation for CID 162407441?
The canonical SMILES for CID 162407441 is CCS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@H]21.
What is the InChIKey of CID 162407441?
The InChIKey is PQJVWIPUQZYOGF-NYIQUJALSA-N. The full InChI is InChI=1S/C18H30O7S/c1-2-26-16-15-14(13(20)12(11-19)23-16)24-17(7-3-5-9-21-17)18(25-15)8-4-6-10-22-18/h12-16,19-20H,2-11H2,1H3/t12-,13+,14+,15-,16+,17-,18-/m1/s1.
What are the key properties of CID 162407441?
CID 162407441 has a molecular weight of 390.50 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162407441 is sourced from PubChem (CID 162407441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).