2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole

C37H37NO5S — CID 10031614

IUPAC2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole
SMILESc1ccc(COC[C@H]2O[C@@H](c3nccs3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C37H37NO5S/c1-5-13-28(14-6-1)23-39-27-32-33(40-24-29-15-7-2-8-16-29)34(41-25-30-17-9-3-10-18-30)35(36(43-32)37-38-21-22-44-37)42-26-31-19-11-4-12-20-31/h1-22,32-36H,23-27H2/t32-,33+,34+,35-,36-/m1/s1
InChIKeyQBHWFPXQVMFWJI-FGZSBDNFSA-N
MW607.77 g/mol
LogP7.56
Rot. Bonds14

About 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole

2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole (PubChem CID 10031614) has the molecular formula C37H37NO5S and a molecular weight of 607.77 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole
PubChem CID10031614
Molecular FormulaC37H37NO5S
Molecular Weight607.77 g/mol
Exact Mass607.24
IUPAC Name2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole
SMILESc1ccc(COC[C@H]2O[C@@H](c3nccs3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C37H37NO5S/c1-5-13-28(14-6-1)23-39-27-32-33(40-24-29-15-7-2-8-16-29)34(41-25-30-17-9-3-10-18-30)35(36(43-32)37-38-21-22-44-37)42-26-31-19-11-4-12-20-31/h1-22,32-36H,23-27H2/t32-,33+,34+,35-,36-/m1/s1
InChIKeyQBHWFPXQVMFWJI-FGZSBDNFSA-N
XLogP7.56
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.77
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-thiol
CID 102081049
(2R,5S)-2-bromo-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 135036475
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(1,3-thiazol-2-yl)oxan-2-ol
CID 134908225
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole (CID 10031614) is 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole is c1ccc(COC[C@H]2O[C@@H](c3nccs3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole?
The InChIKey is QBHWFPXQVMFWJI-FGZSBDNFSA-N. The full InChI is InChI=1S/C37H37NO5S/c1-5-13-28(14-6-1)23-39-27-32-33(40-24-29-15-7-2-8-16-29)34(41-25-30-17-9-3-10-18-30)35(36(43-32)37-38-21-22-44-37)42-26-31-19-11-4-12-20-31/h1-22,32-36H,23-27H2/t32-,33+,34+,35-,36-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole?
2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole has a molecular weight of 607.77 g/mol, XLogP of 7.56, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole is sourced from PubChem (CID 10031614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).