(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol

C41H62O6Si2 — CID 11216240

IUPAC(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol
SMILESCC(C)[Si](O[C@@H](c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]([C@@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C41H62O6Si2/c1-29(2)48(30(3)4,31(5)6)47-37(32-21-15-12-16-22-32)39-36(43)38(45-41(10,11)46-39)35(42)27-28-44-49(40(7,8)9,33-23-17-13-18-24-33)34-25-19-14-20-26-34/h12-26,29-31,35-39,42-43H,27-28H2,1-11H3/t35-,36+,37-,38-,39+/m0/s1
InChIKeyIOXULZWYURGCJT-INMKTMPKSA-N
MW707.11 g/mol
LogP8.13
Rot. Bonds14

About (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol

(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol (PubChem CID 11216240) has the molecular formula C41H62O6Si2 and a molecular weight of 707.11 g/mol. Its IUPAC name is (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol
PubChem CID11216240
Molecular FormulaC41H62O6Si2
Molecular Weight707.11 g/mol
Exact Mass706.41
IUPAC Name(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol
SMILESCC(C)[Si](O[C@@H](c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]([C@@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C41H62O6Si2/c1-29(2)48(30(3)4,31(5)6)47-37(32-21-15-12-16-22-32)39-36(43)38(45-41(10,11)46-39)35(42)27-28-44-49(40(7,8)9,33-23-17-13-18-24-33)34-25-19-14-20-26-34/h12-26,29-31,35-39,42-43H,27-28H2,1-11H3/t35-,36+,37-,38-,39+/m0/s1
InChIKeyIOXULZWYURGCJT-INMKTMPKSA-N
XLogP8.13
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.11
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 23245446
(3aR,5R,6S,6aR)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102214663
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
(R)-[(4R,5R)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 122366240
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
(1R)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 11735255
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol?
The IUPAC name of (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol (CID 11216240) is (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol.
What is the SMILES notation for (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol?
The canonical SMILES for (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol is CC(C)[Si](O[C@@H](c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]([C@@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol?
The InChIKey is IOXULZWYURGCJT-INMKTMPKSA-N. The full InChI is InChI=1S/C41H62O6Si2/c1-29(2)48(30(3)4,31(5)6)47-37(32-21-15-12-16-22-32)39-36(43)38(45-41(10,11)46-39)35(42)27-28-44-49(40(7,8)9,33-23-17-13-18-24-33)34-25-19-14-20-26-34/h12-26,29-31,35-39,42-43H,27-28H2,1-11H3/t35-,36+,37-,38-,39+/m0/s1.
What are the key properties of (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol?
(4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol has a molecular weight of 707.11 g/mol, XLogP of 8.13, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-4-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2,2-dimethyl-6-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-5-ol is sourced from PubChem (CID 11216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).