(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

C19H14N2O5 — CID 59072389

IUPAC(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
SMILES[3H]c1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(C)O
InChIInChI=1S/C19H14N2O5/c1-19(25)13-6-15-16-10(4-9-5-11(22)2-3-14(9)20-16)7-21(15)17(23)12(13)8-26-18(19)24/h2-6,22,25H,7-8H2,1H3/t19-/m0/s1/i4T
InChIKeyINELCMUAACUTMU-GUMOZIEHSA-N
MW352.34 g/mol
LogP1.40
Rot. Bonds

About (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione (PubChem CID 59072389) has the molecular formula C19H14N2O5 and a molecular weight of 352.34 g/mol. Its IUPAC name is (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.

Molecular Properties

Compound Name(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
PubChem CID59072389
Molecular FormulaC19H14N2O5
Molecular Weight352.34 g/mol
Exact Mass352.10
IUPAC Name(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
SMILES[3H]c1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(C)O
InChIInChI=1S/C19H14N2O5/c1-19(25)13-6-15-16-10(4-9-5-11(22)2-3-14(9)20-16)7-21(15)17(23)12(13)8-26-18(19)24/h2-6,22,25H,7-8H2,1H3/t19-/m0/s1/i4T
InChIKeyINELCMUAACUTMU-GUMOZIEHSA-N
XLogP1.40
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 59072388
(19S)-7,8-difluoro-19-hydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 59072396
(19S)-6-amino-19-hydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione;methanethiol
CID 90861509
19-ethyl-7-hydroxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 143485013
[(19S)-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] pentanoate
CID 118246578
ethane;(19S)-19-methoxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 168986578
(19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-aminopropanoate
CID 123382119
ethane;19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;sulfanol
CID 143616490
(10S)-22-amino-10-hydroxy-10-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione;ethane
CID 91563080
7,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione;hydrochloride
CID 174832043
(19S)-10,19-diethyl-7-hydroxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 166974475
[(19R,20S)-20-ethyl-7,20-dihydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaen-19-yl] acetate
CID 70673741

Frequently Asked Questions

What is the IUPAC name of (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?
The IUPAC name of (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione (CID 59072389) is (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.
What is the SMILES notation for (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?
The canonical SMILES for (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione is [3H]c1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(C)O.
What is the InChIKey of (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?
The InChIKey is INELCMUAACUTMU-GUMOZIEHSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-19(25)13-6-15-16-10(4-9-5-11(22)2-3-14(9)20-16)7-21(15)17(23)12(13)8-26-18(19)24/h2-6,22,25H,7-8H2,1H3/t19-/m0/s1/i4T.
What are the key properties of (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?
(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione has a molecular weight of 352.34 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 59072389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).