(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol

C28H40O5Si — CID 10874560

IUPAC(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C28H40O5Si/c1-26(2,3)34(21-13-9-7-10-14-21,22-15-11-8-12-16-22)31-19-24-23(29)17-18-28(6,32-24)25-20-30-27(4,5)33-25/h7-16,23-25,29H,17-20H2,1-6H3/t23-,24+,25+,28-/m0/s1
InChIKeyAPPHUBLSZLRPBX-FQJHJXCSSA-N
MW484.71 g/mol
LogP4.01
Rot. Bonds6

About (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol

(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol (PubChem CID 10874560) has the molecular formula C28H40O5Si and a molecular weight of 484.71 g/mol. Its IUPAC name is (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
PubChem CID10874560
Molecular FormulaC28H40O5Si
Molecular Weight484.71 g/mol
Exact Mass484.26
IUPAC Name(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1
InChIInChI=1S/C28H40O5Si/c1-26(2,3)34(21-13-9-7-10-14-21,22-15-11-8-12-16-22)31-19-24-23(29)17-18-28(6,32-24)25-20-30-27(4,5)33-25/h7-16,23-25,29H,17-20H2,1-6H3/t23-,24+,25+,28-/m0/s1
InChIKeyAPPHUBLSZLRPBX-FQJHJXCSSA-N
XLogP4.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-phenylbutan-2-yl]oxyoxane-3,4,5-triol
CID 162855359
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
CID 11167004
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2R,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867357
(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867373

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol (CID 10874560) is (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol is CC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1.
What is the InChIKey of (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol?
The InChIKey is APPHUBLSZLRPBX-FQJHJXCSSA-N. The full InChI is InChI=1S/C28H40O5Si/c1-26(2,3)34(21-13-9-7-10-14-21,22-15-11-8-12-16-22)31-19-24-23(29)17-18-28(6,32-24)25-20-30-27(4,5)33-25/h7-16,23-25,29H,17-20H2,1-6H3/t23-,24+,25+,28-/m0/s1.
What are the key properties of (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol?
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol has a molecular weight of 484.71 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol is sourced from PubChem (CID 10874560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).