1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol

C24H38O11 — CID 130402797

IUPAC1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol
SMILESCC(C)(OCC1CO1)C1CO[C@@H]2[C@@H](OCC(O)CO[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OCC3CO3)CO[C@H]12
InChIInChI=1S/C24H38O11/c1-24(2,35-8-15-6-27-15)16-9-31-21-17(10-32-20(16)21)28-3-13(25)4-29-18-11-33-23-19(12-34-22(18)23)30-7-14-5-26-14/h13-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+,19-,20+,21+,22+,23+/m0/s1
InChIKeyRZLLFHVVSVSFBB-HFWLUQFWSA-N
MW502.56 g/mol
LogP-0.69
Rot. Bonds13

About 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol

1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol (PubChem CID 130402797) has the molecular formula C24H38O11 and a molecular weight of 502.56 g/mol. Its IUPAC name is 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol
PubChem CID130402797
Molecular FormulaC24H38O11
Molecular Weight502.56 g/mol
Exact Mass502.24
IUPAC Name1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol
SMILESCC(C)(OCC1CO1)C1CO[C@@H]2[C@@H](OCC(O)CO[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OCC3CO3)CO[C@H]12
InChIInChI=1S/C24H38O11/c1-24(2,35-8-15-6-27-15)16-9-31-21-17(10-32-20(16)21)28-3-13(25)4-29-18-11-33-23-19(12-34-22(18)23)30-7-14-5-26-14/h13-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+,19-,20+,21+,22+,23+/m0/s1
InChIKeyRZLLFHVVSVSFBB-HFWLUQFWSA-N
XLogP-0.69
TPSA119.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.56
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol with MolForge

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Related Compounds

1-[2-[(3R,3aR,6S,6aS)-6-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]propan-2-yloxy]-3-[[(3R,3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol
CID 129305237
1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3R,3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol
CID 139435694
(3S,6R)-3-[2-[2-[2-[(3S,6R)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]ethoxy]ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 101063684
(3R,6S)-3-[2-[2-[2-[(3R,6S)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]ethoxy]ethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 101063688

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol?
The IUPAC name of 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol (CID 130402797) is 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol?
The canonical SMILES for 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol is CC(C)(OCC1CO1)C1CO[C@@H]2[C@@H](OCC(O)CO[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OCC3CO3)CO[C@H]12.
What is the InChIKey of 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol?
The InChIKey is RZLLFHVVSVSFBB-HFWLUQFWSA-N. The full InChI is InChI=1S/C24H38O11/c1-24(2,35-8-15-6-27-15)16-9-31-21-17(10-32-20(16)21)28-3-13(25)4-29-18-11-33-23-19(12-34-22(18)23)30-7-14-5-26-14/h13-23,25H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+,19-,20+,21+,22+,23+/m0/s1.
What are the key properties of 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol?
1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol has a molecular weight of 502.56 g/mol, XLogP of -0.69, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,3aR,6R,6aR)-3-(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-[[(3aR,6S,6aS)-3-[2-(oxiran-2-ylmethoxy)propan-2-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-2-ol is sourced from PubChem (CID 130402797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).