(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol

C27H40O6Si — CID 134863666

IUPAC(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol
SMILESCOCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@](C)(O)CC1OCCO1
InChIInChI=1S/C27H40O6Si/c1-21(25(32-20-29-6)27(5,28)19-24-30-17-18-31-24)33-34(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,28H,17-20H2,1-6H3/t21-,25-,27+/m0/s1
InChIKeyZECIMDOQVHQSIH-IDNYDCHQSA-N
MW488.70 g/mol
LogP3.45
Rot. Bonds11

About (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol

(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol (PubChem CID 134863666) has the molecular formula C27H40O6Si and a molecular weight of 488.70 g/mol. Its IUPAC name is (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol
PubChem CID134863666
Molecular FormulaC27H40O6Si
Molecular Weight488.70 g/mol
Exact Mass488.26
IUPAC Name(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol
SMILESCOCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@](C)(O)CC1OCCO1
InChIInChI=1S/C27H40O6Si/c1-21(25(32-20-29-6)27(5,28)19-24-30-17-18-31-24)33-34(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,28H,17-20H2,1-6H3/t21-,25-,27+/m0/s1
InChIKeyZECIMDOQVHQSIH-IDNYDCHQSA-N
XLogP3.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
3-C-((Triphenylstannyl)methyl)-1,2-5,6-di-O-isopropylidene-D-allofuranose
CID 3081733
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
(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
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
(3aR,5R,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 135022023

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol?
The IUPAC name of (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol (CID 134863666) is (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol.
What is the SMILES notation for (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol?
The canonical SMILES for (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol is COCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@](C)(O)CC1OCCO1.
What is the InChIKey of (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol?
The InChIKey is ZECIMDOQVHQSIH-IDNYDCHQSA-N. The full InChI is InChI=1S/C27H40O6Si/c1-21(25(32-20-29-6)27(5,28)19-24-30-17-18-31-24)33-34(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,28H,17-20H2,1-6H3/t21-,25-,27+/m0/s1.
What are the key properties of (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol?
(2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol has a molecular weight of 488.70 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 134863666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).