(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C25H34O6Si — CID 10983370

IUPAC(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O)[C@H]2O1
InChIInChI=1S/C25H34O6Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19(26)21-20(27)22-23(29-21)31-25(4,5)30-22/h6-15,19-23,26-27H,16H2,1-5H3/t19-,20+,21-,22-,23-/m1/s1
InChIKeyDCTBRWUVYZAWMM-PFDCGNQRSA-N
MW458.63 g/mol
LogP2.16
Rot. Bonds6

About (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 10983370) has the molecular formula C25H34O6Si and a molecular weight of 458.63 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID10983370
Molecular FormulaC25H34O6Si
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC Name(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O)[C@H]2O1
InChIInChI=1S/C25H34O6Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19(26)21-20(27)22-23(29-21)31-25(4,5)30-22/h6-15,19-23,26-27H,16H2,1-5H3/t19-,20+,21-,22-,23-/m1/s1
InChIKeyDCTBRWUVYZAWMM-PFDCGNQRSA-N
XLogP2.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-5-[(1R)-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 10983370) is (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@H]2O[C@H]([C@H](O)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O)[C@H]2O1.
What is the InChIKey of (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is DCTBRWUVYZAWMM-PFDCGNQRSA-N. The full InChI is InChI=1S/C25H34O6Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19(26)21-20(27)22-23(29-21)31-25(4,5)30-22/h6-15,19-23,26-27H,16H2,1-5H3/t19-,20+,21-,22-,23-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 458.63 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10983370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).