(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione

C14H12O8 — CID 101109448

IUPAC(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione
SMILESO=C1C=C2[C@H](O)OC[C@H]3[C@@H]4CO[C@@H](O)C5=CC(=O)O[C@]54[C@@]23O1
InChIInChI=1S/C14H12O8/c15-9-1-5-11(17)19-3-7-8-4-20-12(18)6-2-10(16)22-14(6,8)13(5,7)21-9/h1-2,7-8,11-12,17-18H,3-4H2/t7-,8-,11+,12+,13+,14+/m0/s1
InChIKeyWKPNDURTKKYALN-UZOBCPDKSA-N
MW308.24 g/mol
LogP-1.63
Rot. Bonds

About (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione

(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione (PubChem CID 101109448) has the molecular formula C14H12O8 and a molecular weight of 308.24 g/mol. Its IUPAC name is (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione.

Molecular Properties

Compound Name(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione
PubChem CID101109448
Molecular FormulaC14H12O8
Molecular Weight308.24 g/mol
Exact Mass308.05
IUPAC Name(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione
SMILESO=C1C=C2[C@H](O)OC[C@H]3[C@@H]4CO[C@@H](O)C5=CC(=O)O[C@]54[C@@]23O1
InChIInChI=1S/C14H12O8/c15-9-1-5-11(17)19-3-7-8-4-20-12(18)6-2-10(16)22-14(6,8)13(5,7)21-9/h1-2,7-8,11-12,17-18H,3-4H2/t7-,8-,11+,12+,13+,14+/m0/s1
InChIKeyWKPNDURTKKYALN-UZOBCPDKSA-N
XLogP-1.63
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione?
The IUPAC name of (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione (CID 101109448) is (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione.
What is the SMILES notation for (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione?
The canonical SMILES for (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione is O=C1C=C2[C@H](O)OC[C@H]3[C@@H]4CO[C@@H](O)C5=CC(=O)O[C@]54[C@@]23O1.
What is the InChIKey of (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione?
The InChIKey is WKPNDURTKKYALN-UZOBCPDKSA-N. The full InChI is InChI=1S/C14H12O8/c15-9-1-5-11(17)19-3-7-8-4-20-12(18)6-2-10(16)22-14(6,8)13(5,7)21-9/h1-2,7-8,11-12,17-18H,3-4H2/t7-,8-,11+,12+,13+,14+/m0/s1.
What are the key properties of (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione?
(1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione has a molecular weight of 308.24 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7R,10R,11R,14R)-7,14-dihydroxy-3,8,13,18-tetraoxapentacyclo[9.7.0.01,15.02,6.02,10]octadeca-5,15-diene-4,17-dione is sourced from PubChem (CID 101109448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).