N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide

C27H37NO5Si — CID 11518669

IUPACN-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide
SMILESC=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H37NO5Si/c1-6-13-22-24(28-19(2)29)26(31)25(30)23(33-22)18-32-34(27(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,22-26,30-31H,1,13,18H2,2-5H3,(H,28,29)/t22-,23-,24+,25+,26-/m1/s1
InChIKeyOGYNTHFFFGGXPL-PUHDZGQXSA-N
MW483.68 g/mol
LogP2.13
Rot. Bonds8

About N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide (PubChem CID 11518669) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide
PubChem CID11518669
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC NameN-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide
SMILESC=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C27H37NO5Si/c1-6-13-22-24(28-19(2)29)26(31)25(30)23(33-22)18-32-34(27(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,22-26,30-31H,1,13,18H2,2-5H3,(H,28,29)/t22-,23-,24+,25+,26-/m1/s1
InChIKeyOGYNTHFFFGGXPL-PUHDZGQXSA-N
XLogP2.13
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide (CID 11518669) is N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide is C=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide?
The InChIKey is OGYNTHFFFGGXPL-PUHDZGQXSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-6-13-22-24(28-19(2)29)26(31)25(30)23(33-22)18-32-34(27(3,4)5,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h6-12,14-17,22-26,30-31H,1,13,18H2,2-5H3,(H,28,29)/t22-,23-,24+,25+,26-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide has a molecular weight of 483.68 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxy-2-prop-2-enyloxan-3-yl]acetamide is sourced from PubChem (CID 11518669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).