6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione

C23H25N3O7 — CID 98657409

IUPAC6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](c4c(O)n(C)c(=O)n(C)c4=O)N(C[C@@H]2O)[C@@H]3C1)OCO5
InChIInChI=1S/C23H25N3O7/c1-24-20(28)18(21(29)25(2)22(24)30)19-12-7-14-15(33-10-32-14)8-13(12)23-5-4-11(31-3)6-16(23)26(19)9-17(23)27/h4-5,7-8,11,16-17,19,27-28H,6,9-10H2,1-3H3/t11-,16-,17+,19+,23+/m1/s1
InChIKeyWUGZVVSUKLMSKB-ONOHEDCGSA-N
MW455.47 g/mol
LogP-0.12
Rot. Bonds2

About 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 98657409) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID98657409
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](c4c(O)n(C)c(=O)n(C)c4=O)N(C[C@@H]2O)[C@@H]3C1)OCO5
InChIInChI=1S/C23H25N3O7/c1-24-20(28)18(21(29)25(2)22(24)30)19-12-7-14-15(33-10-32-14)8-13(12)23-5-4-11(31-3)6-16(23)26(19)9-17(23)27/h4-5,7-8,11,16-17,19,27-28H,6,9-10H2,1-3H3/t11-,16-,17+,19+,23+/m1/s1
InChIKeyWUGZVVSUKLMSKB-ONOHEDCGSA-N
XLogP-0.12
TPSA115.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

(1S,13S,15R,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 165367463
(1R,13S,15S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 21148541
[(1S,11S,13S,15R,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl] acetate
CID 102484899
15-methoxy-18-methyl-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-ol
CID 588410
(13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 5320704
(1R,11R,13S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 162894671
(1R,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 95769000
(1S,11R,13R,16S,18S)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
CID 10926024
18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
CID 162817592
[(1S,13S,15S,18S)-11-(4-bromobenzoyl)oxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] 4-bromobenzoate
CID 70689004
(1R,11S,12R,13R,15R,18S)-15-methoxy-12-methyl-5,7-dioxa-12-azoniapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol chloride
CID 71511252
(1S,13S,15S,18R)-15-methoxy-12-methyl-5,7-dioxa-12-azoniapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol chloride
CID 71452578

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 98657409) is 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione is CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](c4c(O)n(C)c(=O)n(C)c4=O)N(C[C@@H]2O)[C@@H]3C1)OCO5.
What is the InChIKey of 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WUGZVVSUKLMSKB-ONOHEDCGSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-24-20(28)18(21(29)25(2)22(24)30)19-12-7-14-15(33-10-32-14)8-13(12)23-5-4-11(31-3)6-16(23)26(19)9-17(23)27/h4-5,7-8,11,16-17,19,27-28H,6,9-10H2,1-3H3/t11-,16-,17+,19+,23+/m1/s1.
What are the key properties of 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 455.47 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 98657409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).