(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C29H42O7Si — CID 18643694

IUPAC(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H]([C@@H](O)[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](CO)O1
InChIInChI=1S/C29H42O7Si/c1-27(2,3)37(20-14-10-8-11-15-20,21-16-12-9-13-17-21)32-19-23-26(36-29(6,7)34-23)24(31)25-22(18-30)33-28(4,5)35-25/h8-17,22-26,30-31H,18-19H2,1-7H3/t22-,23-,24+,25-,26+/m0/s1
InChIKeyCJJNBKIJEKUHOD-HEXNFIEUSA-N
MW530.73 g/mol
LogP2.96
Rot. Bonds8

About (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 18643694) has the molecular formula C29H42O7Si and a molecular weight of 530.73 g/mol. Its IUPAC name is (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID18643694
Molecular FormulaC29H42O7Si
Molecular Weight530.73 g/mol
Exact Mass530.27
IUPAC Name(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H]([C@@H](O)[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](CO)O1
InChIInChI=1S/C29H42O7Si/c1-27(2,3)37(20-14-10-8-11-15-20,21-16-12-9-13-17-21)32-19-23-26(36-29(6,7)34-23)24(31)25-22(18-30)33-28(4,5)35-25/h8-17,22-26,30-31H,18-19H2,1-7H3/t22-,23-,24+,25-,26+/m0/s1
InChIKeyCJJNBKIJEKUHOD-HEXNFIEUSA-N
XLogP2.96
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 18643694) is (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@H]([C@@H](O)[C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](CO)O1.
What is the InChIKey of (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is CJJNBKIJEKUHOD-HEXNFIEUSA-N. The full InChI is InChI=1S/C29H42O7Si/c1-27(2,3)37(20-14-10-8-11-15-20,21-16-12-9-13-17-21)32-19-23-26(36-29(6,7)34-23)24(31)25-22(18-30)33-28(4,5)35-25/h8-17,22-26,30-31H,18-19H2,1-7H3/t22-,23-,24+,25-,26+/m0/s1.
What are the key properties of (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
(R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 530.73 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 18643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).