2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol

C43H42ClNO6S — CID 89486227

About 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol

2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol (PubChem CID 89486227) has the molecular formula C43H42ClNO6S and a molecular weight of 736.33 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol
• PubChem CID: 89486227
• Molecular Formula: C43H42ClNO6S
• Molecular Weight: 736.33 g/mol
• Exact Mass: 735.24
• IUPAC Name: 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol
• SMILES: CC(C)(O)[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C43H42ClNO6S/c1-43(2,46)42-41(50-28-31-17-10-5-11-18-31)40(49-27-30-15-8-4-9-16-30)39(48-26-29-13-6-3-7-14-29)38(51-42)32-20-21-34(44)33(23-32)24-37-45-25-36(52-37)35-19-12-22-47-35/h3-23,25,38-42,46H,24,26-28H2,1-2H3/t38-,39-,40+,41-,42-/m0/s1
• InChIKey: HYZRKCXDVQCUPH-SRWPCTQNSA-N
• XLogP: 9.61
• TPSA: 83.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.33
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol?

The IUPAC name of 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol (CID 89486227) is 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol.

What is the SMILES notation for 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol?

The canonical SMILES for 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol is CC(C)(O)[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol?

The InChIKey is HYZRKCXDVQCUPH-SRWPCTQNSA-N. The full InChI is InChI=1S/C43H42ClNO6S/c1-43(2,46)42-41(50-28-31-17-10-5-11-18-31)40(49-27-30-15-8-4-9-16-30)39(48-26-29-13-6-3-7-14-29)38(51-42)32-20-21-34(44)33(23-32)24-37-45-25-36(52-37)35-19-12-22-47-35/h3-23,25,38-42,46H,24,26-28H2,1-2H3/t38-,39-,40+,41-,42-/m0/s1.

What are the key properties of 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol?

2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol has a molecular weight of 736.33 g/mol, XLogP of 9.61, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3S,4R,5S,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-2-ol is sourced from PubChem (CID 89486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).