(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one

C16H24O6 — CID 10567083

IUPAC(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one
SMILESC[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@H](CO)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C16H24O6/c1-8-5-16(21-11-3-10(7-17)19-14(8)11)6-9(2)15-12(22-16)4-13(18)20-15/h8-12,14-15,17H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,14-,15-,16+/m0/s1
InChIKeyOETZBPVWCAELHK-SWDCTDOSSA-N
MW312.36 g/mol
LogP1.00
Rot. Bonds1

About (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one

(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one (PubChem CID 10567083) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one.

Molecular Properties

Compound Name(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one
PubChem CID10567083
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one
SMILESC[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@H](CO)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C16H24O6/c1-8-5-16(21-11-3-10(7-17)19-14(8)11)6-9(2)15-12(22-16)4-13(18)20-15/h8-12,14-15,17H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,14-,15-,16+/m0/s1
InChIKeyOETZBPVWCAELHK-SWDCTDOSSA-N
XLogP1.00
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one with MolForge

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CID 45488883

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one?
The IUPAC name of (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one (CID 10567083) is (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one.
What is the SMILES notation for (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one?
The canonical SMILES for (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one is C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@H](CO)C[C@@H]3O2)O[C@H]2CC(=O)O[C@H]21.
What is the InChIKey of (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one?
The InChIKey is OETZBPVWCAELHK-SWDCTDOSSA-N. The full InChI is InChI=1S/C16H24O6/c1-8-5-16(21-11-3-10(7-17)19-14(8)11)6-9(2)15-12(22-16)4-13(18)20-15/h8-12,14-15,17H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,14-,15-,16+/m0/s1.
What are the key properties of (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one?
(2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one has a molecular weight of 312.36 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,3'aS,5R,7S,7'S,7aS,7'aS)-2-(hydroxymethyl)-7,7'-dimethylspiro[2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-5,5'-3a,6,7,7a-tetrahydro-3H-furo[3,2-b]pyran]-2'-one is sourced from PubChem (CID 10567083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).