14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one

C26H26O6 — CID 102197351

IUPAC14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one
SMILESO=C1COCc2ccccc2OCc2cccc(c2)COc2ccccc2COCC1O
InChIInChI=1S/C26H26O6/c27-23-17-29-15-21-8-1-3-10-25(21)31-13-19-6-5-7-20(12-19)14-32-26-11-4-2-9-22(26)16-30-18-24(23)28/h1-12,23,27H,13-18H2
InChIKeyMUXWPPQSBLRPNT-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.82
Rot. Bonds

About 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one

14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one (PubChem CID 102197351) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one.

Molecular Properties

Compound Name14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one
PubChem CID102197351
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one
SMILESO=C1COCc2ccccc2OCc2cccc(c2)COc2ccccc2COCC1O
InChIInChI=1S/C26H26O6/c27-23-17-29-15-21-8-1-3-10-25(21)31-13-19-6-5-7-20(12-19)14-32-26-11-4-2-9-22(26)16-30-18-24(23)28/h1-12,23,27H,13-18H2
InChIKeyMUXWPPQSBLRPNT-UHFFFAOYSA-N
XLogP3.82
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one with MolForge

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Related Compounds

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CID 10919641
3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
CID 18440970
3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
CID 101014780
azanium;3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene;8,8'-spirobi[7,9-dioxa-8-boranuidabicyclo[4.3.0]nona-1,3,5-triene]
CID 139054037
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
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CID 24777755
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CID 22956846
3,10,13,21,24,31-hexaoxa-38-azapentacyclo[31.2.2.115,19.04,9.025,30]octatriaconta-1(36),4,6,8,15(38),16,18,25,27,29,33(37),34-dodecaene-14,20-dione
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CID 86769190
5,29,34-trioxa-13,17,21,42-tetrazahexacyclo[15.15.13.13,31.06,11.023,28.035,40]hexatetraconta-1(32),2,6,8,10,23,25,27,31(46),35,37,39-dodecaene
CID 102003064
7,15,31,39-tetratert-butyl-3,19,27,43-tetraoxa-11,35-diazaheptacyclo[43.3.1.121,25.04,9.013,18.028,33.037,42]pentaconta-1(49),4(9),5,7,13(18),14,16,21(50),22,24,28(33),29,31,37(42),38,40,45,47-octadecaene
CID 10843364
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one?
The IUPAC name of 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one (CID 102197351) is 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one.
What is the SMILES notation for 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one?
The canonical SMILES for 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one is O=C1COCc2ccccc2OCc2cccc(c2)COc2ccccc2COCC1O.
What is the InChIKey of 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one?
The InChIKey is MUXWPPQSBLRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c27-23-17-29-15-21-8-1-3-10-25(21)31-13-19-6-5-7-20(12-19)14-32-26-11-4-2-9-22(26)16-30-18-24(23)28/h1-12,23,27H,13-18H2.
What are the key properties of 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one?
14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one has a molecular weight of 434.49 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-3,11,16,24-tetraoxatetracyclo[24.3.1.04,9.018,23]triaconta-1(29),4,6,8,18,20,22,26(30),27-nonaen-13-one is sourced from PubChem (CID 102197351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).