(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol

C24H32O7S — CID 22879001

IUPAC(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
SMILESCCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C24H32O7S/c1-4-32-24-23(30-14-17-7-11-19(28-3)12-8-17)22(26)21(25)20(31-24)15-29-13-16-5-9-18(27-2)10-6-16/h5-12,20-26H,4,13-15H2,1-3H3/t20-,21+,22+,23-,24+/m1/s1
InChIKeyLQPSPFUZTFFROK-BAHGYDIPSA-N
MW464.58 g/mol
LogP3.01
Rot. Bonds11

About (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol

(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol (PubChem CID 22879001) has the molecular formula C24H32O7S and a molecular weight of 464.58 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
PubChem CID22879001
Molecular FormulaC24H32O7S
Molecular Weight464.58 g/mol
Exact Mass464.19
IUPAC Name(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
SMILESCCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C24H32O7S/c1-4-32-24-23(30-14-17-7-11-19(28-3)12-8-17)22(26)21(25)20(31-24)15-29-13-16-5-9-18(27-2)10-6-16/h5-12,20-26H,4,13-15H2,1-3H3/t20-,21+,22+,23-,24+/m1/s1
InChIKeyLQPSPFUZTFFROK-BAHGYDIPSA-N
XLogP3.01
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
CID 22876210
(3R,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 146033274
(3S,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 70898350
(2S,3S,4R,5R)-2-ethylsulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11145046
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11050171
(2S,3R,4R,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 67062933
(2R,3R,4S,5R,6R)-6-(benzenesulfinyl)-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
CID 56611471
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2S,3S,4R,5R,6R)-2-[[(2R,3R,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11115680
[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] N-benzylcarbamate
CID 10816736
6-[(4-methoxyphenyl)methoxymethyl]-4-prop-2-enoxyoxane-2,3,5-triol
CID 171126360

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol (CID 22879001) is (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol is CCS[C@@H]1O[C@H](COCc2ccc(OC)cc2)[C@H](O)[C@H](O)[C@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol?
The InChIKey is LQPSPFUZTFFROK-BAHGYDIPSA-N. The full InChI is InChI=1S/C24H32O7S/c1-4-32-24-23(30-14-17-7-11-19(28-3)12-8-17)22(26)21(25)20(31-24)15-29-13-16-5-9-18(27-2)10-6-16/h5-12,20-26H,4,13-15H2,1-3H3/t20-,21+,22+,23-,24+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol?
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol has a molecular weight of 464.58 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol is sourced from PubChem (CID 22879001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).