actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28Ac6O10S — CID 20677813

IUPACactinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC1C(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)OC1S(=O)c1ccccc1.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C19H28O10S.6Ac/c1-9-13(21)15(23)12(29-19(9)30(26)10-5-3-2-4-6-10)8-27-18-17(25)16(24)14(22)11(7-20)28-18;;;;;;/h2-6,9,11-25H,7-8H2,1H3;;;;;;
InChIKeyUFNHYRANAARKLL-UHFFFAOYSA-N
MW1810.49 g/mol
LogP-2.31
Rot. Bonds6

About actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 20677813) has the molecular formula C19H28Ac6O10S and a molecular weight of 1810.49 g/mol. Its IUPAC name is actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Nameactinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID20677813
Molecular FormulaC19H28Ac6O10S
Molecular Weight1810.49 g/mol
Exact Mass1810.31
IUPAC Nameactinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC1C(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)OC1S(=O)c1ccccc1.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C19H28O10S.6Ac/c1-9-13(21)15(23)12(29-19(9)30(26)10-5-3-2-4-6-10)8-27-18-17(25)16(24)14(22)11(7-20)28-18;;;;;;/h2-6,9,11-25H,7-8H2,1H3;;;;;;
InChIKeyUFNHYRANAARKLL-UHFFFAOYSA-N
XLogP-2.31
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001810.49
LogP ≤ 5-2.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

2-Methyl-6-[[3,4,5-trihydroxy-6-(3-phenylpropylsulfanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 44375310
[(2S,3S,5R,6S,11R)-5-(benzenesulfonyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 44303478
(2S,3S,4S,5S,6S)-2-(benzenesulfonylmethyl)-6-methoxyoxane-3,4,5-triol
CID 127028585
Phenyl 4-O-beta-D-galactopyranosyl-1-thio-beta-D-glucopyranoside
CID 10928206
(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
CID 11824127
4-Fluorophenyl 4-O-(alpha-D-glucopyranosyl)-1-thio-beta-D-glucopyranoside
CID 53712799
3-Trifluoromethylphenyl 4-O-(alpha-D-glucopyranosyl)-1-thio-beta-D-glucopyranoside
CID 53857629
2-(6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-6-methyloxan-3-ol
CID 71228410
2-[5-Ethoxy-5-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-3-methoxy-4-phenylsulfanylpentan-2-yl]oxy-4-methoxy-6-methyloxan-3-ol
CID 89390646
2-[5-Ethoxy-5-(5-ethoxy-5-fluoro-3-methoxy-4-phenylsulfanylpentan-2-yl)oxy-3-methoxy-4-phenylsulfanylpentan-2-yl]oxy-4-methoxy-6-methyloxan-3-ol
CID 89390647
Phenyl-(2,3-di-O-acetyl-beta-D-galactopyranosyl)-1,4-(2,3,6-tri-O-acetyl-1-thio-beta-D-glucopyranoside)
CID 45100520
3,4-O-(2,3-Dimethoxybutane-2,3-diyl)-S-(4-methylphenyl)-1-thia-alpha-D-mannopyranoside
CID 122378860

Frequently Asked Questions

What is the IUPAC name of actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 20677813) is actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CC1C(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)OC1S(=O)c1ccccc1.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UFNHYRANAARKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O10S.6Ac/c1-9-13(21)15(23)12(29-19(9)30(26)10-5-3-2-4-6-10)8-27-18-17(25)16(24)14(22)11(7-20)28-18;;;;;;/h2-6,9,11-25H,7-8H2,1H3;;;;;;.
What are the key properties of actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1810.49 g/mol, XLogP of -2.31, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[[6-(benzenesulfinyl)-3,4-dihydroxy-5-methyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 20677813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).