10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol

C24H20O5 — CID 10992731

IUPAC10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol
SMILESOc1ccc2ccc3cc2c1-c1c(O)ccc2ccc(cc12)OCCOCCO3
InChIInChI=1S/C24H20O5/c25-21-7-3-15-1-5-17-13-19(15)23(21)24-20-14-18(29-12-10-27-9-11-28-17)6-2-16(20)4-8-22(24)26/h1-8,13-14,25-26H,9-12H2
InChIKeyANZSYUTULUWUBP-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.86
Rot. Bonds

About 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol

10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol (PubChem CID 10992731) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol.

Molecular Properties

Compound Name10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol
PubChem CID10992731
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol
SMILESOc1ccc2ccc3cc2c1-c1c(O)ccc2ccc(cc12)OCCOCCO3
InChIInChI=1S/C24H20O5/c25-21-7-3-15-1-5-17-13-19(15)23(21)24-20-14-18(29-12-10-27-9-11-28-17)6-2-16(20)4-8-22(24)26/h1-8,13-14,25-26H,9-12H2
InChIKeyANZSYUTULUWUBP-UHFFFAOYSA-N
XLogP4.86
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol?
The IUPAC name of 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol (CID 10992731) is 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol.
What is the SMILES notation for 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol?
The canonical SMILES for 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol is Oc1ccc2ccc3cc2c1-c1c(O)ccc2ccc(cc12)OCCOCCO3.
What is the InChIKey of 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol?
The InChIKey is ANZSYUTULUWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c25-21-7-3-15-1-5-17-13-19(15)23(21)24-20-14-18(29-12-10-27-9-11-28-17)6-2-16(20)4-8-22(24)26/h1-8,13-14,25-26H,9-12H2.
What are the key properties of 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol?
10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol has a molecular weight of 388.42 g/mol, XLogP of 4.86, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol is sourced from PubChem (CID 10992731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).