(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C20H36O8Si — CID 68915260

IUPAC(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]([C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H36O8Si/c1-18(2,3)29(8,9)23-10-11(21)12-14(26-19(4,5)25-12)13-15-16(17(22)24-13)28-20(6,7)27-15/h11-16,21H,10H2,1-9H3/t11-,12+,13-,14+,15-,16-/m1/s1
InChIKeyUYBPNDNYOSDUHD-ZTYXSZCMSA-N
MW432.59 g/mol
LogP2.33
Rot. Bonds5

About (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 68915260) has the molecular formula C20H36O8Si and a molecular weight of 432.59 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID68915260
Molecular FormulaC20H36O8Si
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]([C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H36O8Si/c1-18(2,3)29(8,9)23-10-11(21)12-14(26-19(4,5)25-12)13-15-16(17(22)24-13)28-20(6,7)27-15/h11-16,21H,10H2,1-9H3/t11-,12+,13-,14+,15-,16-/m1/s1
InChIKeyUYBPNDNYOSDUHD-ZTYXSZCMSA-N
XLogP2.33
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 68915260) is (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]([C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is UYBPNDNYOSDUHD-ZTYXSZCMSA-N. The full InChI is InChI=1S/C20H36O8Si/c1-18(2,3)29(8,9)23-10-11(21)12-14(26-19(4,5)25-12)13-15-16(17(22)24-13)28-20(6,7)27-15/h11-16,21H,10H2,1-9H3/t11-,12+,13-,14+,15-,16-/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
(3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 432.59 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 68915260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).