6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

C26H16F5N3O6 — CID 22569130

IUPAC6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1C1OC(CO)C(F)C(O)C1O
InChIInChI=1S/C26H16F5N3O6/c27-8-1-6-12(3-10(8)29)32-20-15(6)17-18(25(39)33-24(17)38)16-7-2-9(28)11(30)4-13(7)34(21(16)20)26-23(37)22(36)19(31)14(5-35)40-26/h1-4,14,19,22-23,26,32,35-37H,5H2,(H,33,38,39)
InChIKeyKILRUXBJLHWTFD-UHFFFAOYSA-N
MW561.42 g/mol
LogP2.82
Rot. Bonds2

About 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 22569130) has the molecular formula C26H16F5N3O6 and a molecular weight of 561.42 g/mol. Its IUPAC name is 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
PubChem CID22569130
Molecular FormulaC26H16F5N3O6
Molecular Weight561.42 g/mol
Exact Mass561.10
IUPAC Name6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1C1OC(CO)C(F)C(O)C1O
InChIInChI=1S/C26H16F5N3O6/c27-8-1-6-12(3-10(8)29)32-20-15(6)17-18(25(39)33-24(17)38)16-7-2-9(28)11(30)4-13(7)34(21(16)20)26-23(37)22(36)19(31)14(5-35)40-26/h1-4,14,19,22-23,26,32,35-37H,5H2,(H,33,38,39)
InChIKeyKILRUXBJLHWTFD-UHFFFAOYSA-N
XLogP2.82
TPSA136.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.42
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (CID 22569130) is 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1C1OC(CO)C(F)C(O)C1O.
What is the InChIKey of 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is KILRUXBJLHWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F5N3O6/c27-8-1-6-12(3-10(8)29)32-20-15(6)17-18(25(39)33-24(17)38)16-7-2-9(28)11(30)4-13(7)34(21(16)20)26-23(37)22(36)19(31)14(5-35)40-26/h1-4,14,19,22-23,26,32,35-37H,5H2,(H,33,38,39).
What are the key properties of 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 561.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,19,20-tetrafluoro-3-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 22569130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).