(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one

C18H34O5Si — CID 25023656

IUPAC(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](C)[C@@H](O)[C@H](C)O[C@@]21C
InChIInChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-16-12(5)17(20)21-15-11(4)14(19)13(6)22-18(15,16)7/h11-16,19H,8-10H2,1-7H3/t11-,12+,13+,14-,15+,16+,18+/m1/s1
InChIKeyIMJYEHNLSYQLRO-CRJFESBUSA-N
MW358.55 g/mol
LogP3.11
Rot. Bonds5

About (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one

(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one (PubChem CID 25023656) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one.

Molecular Properties

Compound Name(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one
PubChem CID25023656
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](C)[C@@H](O)[C@H](C)O[C@@]21C
InChIInChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-16-12(5)17(20)21-15-11(4)14(19)13(6)22-18(15,16)7/h11-16,19H,8-10H2,1-7H3/t11-,12+,13+,14-,15+,16+,18+/m1/s1
InChIKeyIMJYEHNLSYQLRO-CRJFESBUSA-N
XLogP3.11
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one?
The IUPAC name of (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one (CID 25023656) is (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one.
What is the SMILES notation for (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one?
The canonical SMILES for (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one is CC[Si](CC)(CC)O[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](C)[C@@H](O)[C@H](C)O[C@@]21C.
What is the InChIKey of (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one?
The InChIKey is IMJYEHNLSYQLRO-CRJFESBUSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-16-12(5)17(20)21-15-11(4)14(19)13(6)22-18(15,16)7/h11-16,19H,8-10H2,1-7H3/t11-,12+,13+,14-,15+,16+,18+/m1/s1.
What are the key properties of (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one?
(2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one has a molecular weight of 358.55 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,4aS,7S,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-8-triethylsilyloxy-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-6-one is sourced from PubChem (CID 25023656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).