(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C23H24ClNO6S — CID 53328106

IUPAC(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOc1cc(Cl)c(Cc2ncc(-c3ccccc3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H24ClNO6S/c1-30-16-9-15(24)13(8-19-25-10-18(32-19)12-5-3-2-4-6-12)7-14(16)23-22(29)21(28)20(27)17(11-26)31-23/h2-7,9-10,17,20-23,26-29H,8,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1
InChIKeyMERQCULJMJEPEC-PHNZBSFLSA-N
MW477.97 g/mol
LogP2.58
Rot. Bonds6

About (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53328106) has the molecular formula C23H24ClNO6S and a molecular weight of 477.97 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53328106
Molecular FormulaC23H24ClNO6S
Molecular Weight477.97 g/mol
Exact Mass477.10
IUPAC Name(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOc1cc(Cl)c(Cc2ncc(-c3ccccc3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H24ClNO6S/c1-30-16-9-15(24)13(8-19-25-10-18(32-19)12-5-3-2-4-6-12)7-14(16)23-22(29)21(28)20(27)17(11-26)31-23/h2-7,9-10,17,20-23,26-29H,8,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1
InChIKeyMERQCULJMJEPEC-PHNZBSFLSA-N
XLogP2.58
TPSA112.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53328106) is (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is COc1cc(Cl)c(Cc2ncc(-c3ccccc3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MERQCULJMJEPEC-PHNZBSFLSA-N. The full InChI is InChI=1S/C23H24ClNO6S/c1-30-16-9-15(24)13(8-19-25-10-18(32-19)12-5-3-2-4-6-12)7-14(16)23-22(29)21(28)20(27)17(11-26)31-23/h2-7,9-10,17,20-23,26-29H,8,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 477.97 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-[4-chloro-2-methoxy-5-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53328106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).