(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione

C20H32O7 — CID 154926445

IUPAC(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione
SMILESO=C1OC[C@H]2OCC3(C[C@@H]2C(=O)CCCCCCCCC[C@H]1O)OCCO3
InChIInChI=1S/C20H32O7/c21-16-8-6-4-2-1-3-5-7-9-17(22)19(23)24-13-18-15(16)12-20(14-25-18)26-10-11-27-20/h15,17-18,22H,1-14H2/t15-,17-,18-/m1/s1
InChIKeyBDYWRCPGLBRXFF-KBAYOESNSA-N
MW384.47 g/mol
LogP2.13
Rot. Bonds

About (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione

(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione (PubChem CID 154926445) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione.

Molecular Properties

Compound Name(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione
PubChem CID154926445
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione
SMILESO=C1OC[C@H]2OCC3(C[C@@H]2C(=O)CCCCCCCCC[C@H]1O)OCCO3
InChIInChI=1S/C20H32O7/c21-16-8-6-4-2-1-3-5-7-9-17(22)19(23)24-13-18-15(16)12-20(14-25-18)26-10-11-27-20/h15,17-18,22H,1-14H2/t15-,17-,18-/m1/s1
InChIKeyBDYWRCPGLBRXFF-KBAYOESNSA-N
XLogP2.13
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione?
The IUPAC name of (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione (CID 154926445) is (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione.
What is the SMILES notation for (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione?
The canonical SMILES for (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione is O=C1OC[C@H]2OCC3(C[C@@H]2C(=O)CCCCCCCCC[C@H]1O)OCCO3.
What is the InChIKey of (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione?
The InChIKey is BDYWRCPGLBRXFF-KBAYOESNSA-N. The full InChI is InChI=1S/C20H32O7/c21-16-8-6-4-2-1-3-5-7-9-17(22)19(23)24-13-18-15(16)12-20(14-25-18)26-10-11-27-20/h15,17-18,22H,1-14H2/t15-,17-,18-/m1/s1.
What are the key properties of (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione?
(1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione has a molecular weight of 384.47 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R,16'S)-5'-hydroxyspiro[1,3-dioxolane-2,18'-3,20-dioxabicyclo[14.4.0]icosane]-4',15'-dione is sourced from PubChem (CID 154926445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).