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

C27H44O11 — CID 129305237

IUPAC1-[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
SMILESCC(C)(OCC(O)CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2C(C)(C)OCC1CO1)[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1
InChIInChI=1S/C27H44O11/c1-26(2,18-11-34-25-21(14-36-22(18)25)32-9-16-7-29-16)37-6-15(28)5-31-20-13-35-23-19(12-33-24(20)23)27(3,4)38-10-17-8-30-17/h15-25,28H,5-14H2,1-4H3/t15?,16?,17?,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1
InChIKeyBXTFQZGGAJPYNL-QQDZDHMCSA-N
MW544.64 g/mol
LogP0.33
Rot. Bonds14

About 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

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 (PubChem CID 129305237) has the molecular formula C27H44O11 and a molecular weight of 544.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID129305237
Molecular FormulaC27H44O11
Molecular Weight544.64 g/mol
Exact Mass544.29
IUPAC Name1-[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
SMILESCC(C)(OCC(O)CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2C(C)(C)OCC1CO1)[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1
InChIInChI=1S/C27H44O11/c1-26(2,18-11-34-25-21(14-36-22(18)25)32-9-16-7-29-16)37-6-15(28)5-31-20-13-35-23-19(12-33-24(20)23)27(3,4)38-10-17-8-30-17/h15-25,28H,5-14H2,1-4H3/t15?,16?,17?,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1
InChIKeyBXTFQZGGAJPYNL-QQDZDHMCSA-N
XLogP0.33
TPSA119.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.64
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(OCC(O)CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2C(C)(C)OCC1CO1)[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1.
What is the InChIKey of 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?
The InChIKey is BXTFQZGGAJPYNL-QQDZDHMCSA-N. The full InChI is InChI=1S/C27H44O11/c1-26(2,18-11-34-25-21(14-36-22(18)25)32-9-16-7-29-16)37-6-15(28)5-31-20-13-35-23-19(12-33-24(20)23)27(3,4)38-10-17-8-30-17/h15-25,28H,5-14H2,1-4H3/t15?,16?,17?,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 544.64 g/mol, XLogP of 0.33, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129305237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).