(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate

C25H23O5- — CID 18642974

IUPAC(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
SMILESO=C([O-])CC(=O)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O5/c26-22(17-24(28)29)16-23(27)18-30-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,23,27H,16-18H2,(H,28,29)/p-1/t23-/m0/s1
InChIKeyVSYXWWAPCMQKRY-QHCPKHFHSA-M
MW403.45 g/mol
LogP2.46
Rot. Bonds10

About (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate

(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate (PubChem CID 18642974) has the molecular formula C25H23O5- and a molecular weight of 403.45 g/mol. Its IUPAC name is (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate.

Molecular Properties

Compound Name(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
PubChem CID18642974
Molecular FormulaC25H23O5-
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Name(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
SMILESO=C([O-])CC(=O)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O5/c26-22(17-24(28)29)16-23(27)18-30-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,23,27H,16-18H2,(H,28,29)/p-1/t23-/m0/s1
InChIKeyVSYXWWAPCMQKRY-QHCPKHFHSA-M
XLogP2.46
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-trityloxybutane-1,3-diol
CID 14027583
1,4-ditrityloxybutan-2-ol
CID 13443283
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
[(2R)-2-hydroxy-3-trityloxypropyl] 4-nitrobenzoate
CID 90475561
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
CID 130195980
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate?
The IUPAC name of (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate (CID 18642974) is (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate.
What is the SMILES notation for (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate?
The canonical SMILES for (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate is O=C([O-])CC(=O)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate?
The InChIKey is VSYXWWAPCMQKRY-QHCPKHFHSA-M. The full InChI is InChI=1S/C25H24O5/c26-22(17-24(28)29)16-23(27)18-30-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,23,27H,16-18H2,(H,28,29)/p-1/t23-/m0/s1.
What are the key properties of (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate?
(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate has a molecular weight of 403.45 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate is sourced from PubChem (CID 18642974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).