[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate

C25H32O10S — CID 102424124

IUPAC[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate
SMILESCO[C@H]1O[C@H](COC(=O)OCCS(C)(=O)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H32O10S/c1-30-24-23(33-16-19-11-7-4-8-12-19)22(32-15-18-9-5-3-6-10-18)21(26)20(35-24)17-34-25(27)31-13-14-36(2,28)29/h3-12,20-24,26H,13-17H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyLYWJGSSRRGHSQK-SJSRKZJXSA-N
MW524.59 g/mol
LogP2.09
Rot. Bonds12

About [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate

[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate (PubChem CID 102424124) has the molecular formula C25H32O10S and a molecular weight of 524.59 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate
PubChem CID102424124
Molecular FormulaC25H32O10S
Molecular Weight524.59 g/mol
Exact Mass524.17
IUPAC Name[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate
SMILESCO[C@H]1O[C@H](COC(=O)OCCS(C)(=O)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C25H32O10S/c1-30-24-23(33-16-19-11-7-4-8-12-19)22(32-15-18-9-5-3-6-10-18)21(26)20(35-24)17-34-25(27)31-13-14-36(2,28)29/h3-12,20-24,26H,13-17H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
InChIKeyLYWJGSSRRGHSQK-SJSRKZJXSA-N
XLogP2.09
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

benzyl [(2R,3R,4S,5S,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxycarbonyloxy)oxan-2-yl]methyl carbonate
CID 10930036
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
2-[[(E)-2-(benzenesulfonyl)-3-phenylprop-1-enoxy]methyl]-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 164685539
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-3-phenylmethoxyoxan-2-yl]methyl acetate
CID 101415986
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
[(2R,3R,4S,5R,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102271709
N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetamide
CID 90113504
[(2S,3S,4S,5S,6S)-3-acetamido-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11155323
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-[(2S,3R,4S,5R,6R)-5-hydroxy-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 10908501
[(2R,3R,4S,5R)-5-[(2S,3S,4R,5R)-5-(benzoyloxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 46895699

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate?
The IUPAC name of [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate (CID 102424124) is [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate is CO[C@H]1O[C@H](COC(=O)OCCS(C)(=O)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate?
The InChIKey is LYWJGSSRRGHSQK-SJSRKZJXSA-N. The full InChI is InChI=1S/C25H32O10S/c1-30-24-23(33-16-19-11-7-4-8-12-19)22(32-15-18-9-5-3-6-10-18)21(26)20(35-24)17-34-25(27)31-13-14-36(2,28)29/h3-12,20-24,26H,13-17H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate?
[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate has a molecular weight of 524.59 g/mol, XLogP of 2.09, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 2-methylsulfonylethyl carbonate is sourced from PubChem (CID 102424124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).