(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one

C29H33NO7 — CID 10767913

IUPAC(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one
SMILESCOCO[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@@H]1OCOC
InChIInChI=1S/C29H33NO7/c1-33-19-35-26-25(31)24(30-28(32)27(26)36-20-34-2)18-37-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-27,31H,18-20H2,1-2H3,(H,30,32)/t24-,25+,26+,27-/m1/s1
InChIKeyBRNVEMJJOVDKGJ-LGTXBLIGSA-N
MW507.58 g/mol
LogP2.83
Rot. Bonds12

About (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one

(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one (PubChem CID 10767913) has the molecular formula C29H33NO7 and a molecular weight of 507.58 g/mol. Its IUPAC name is (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one
PubChem CID10767913
Molecular FormulaC29H33NO7
Molecular Weight507.58 g/mol
Exact Mass507.23
IUPAC Name(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one
SMILESCOCO[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@@H]1OCOC
InChIInChI=1S/C29H33NO7/c1-33-19-35-26-25(31)24(30-28(32)27(26)36-20-34-2)18-37-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-27,31H,18-20H2,1-2H3,(H,30,32)/t24-,25+,26+,27-/m1/s1
InChIKeyBRNVEMJJOVDKGJ-LGTXBLIGSA-N
XLogP2.83
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.58
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one with MolForge

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Related Compounds

(3aR,6R,7R,7aR)-7-hydroxy-2,2-dimethyl-6-(trityloxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-4-one
CID 10837621
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
CID 11649844
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one?
The IUPAC name of (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one (CID 10767913) is (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one.
What is the SMILES notation for (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one?
The canonical SMILES for (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one is COCO[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@@H]1OCOC.
What is the InChIKey of (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one?
The InChIKey is BRNVEMJJOVDKGJ-LGTXBLIGSA-N. The full InChI is InChI=1S/C29H33NO7/c1-33-19-35-26-25(31)24(30-28(32)27(26)36-20-34-2)18-37-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-27,31H,18-20H2,1-2H3,(H,30,32)/t24-,25+,26+,27-/m1/s1.
What are the key properties of (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one?
(3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one has a molecular weight of 507.58 g/mol, XLogP of 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-5-hydroxy-3,4-bis(methoxymethoxy)-6-(trityloxymethyl)piperidin-2-one is sourced from PubChem (CID 10767913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).