6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one

C11H12N6O4 — CID 168782879

IUPAC6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one
SMILESO=c1c2ccn([C@H]3CC(O)[C@@H](CO)O3)c2nc2nn[nH]n12
InChIInChI=1S/C11H12N6O4/c18-4-7-6(19)3-8(21-7)16-2-1-5-9(16)12-11-13-14-15-17(11)10(5)20/h1-2,6-8,18-19H,3-4H2,(H,12,13,15)/t6?,7-,8-/m1/s1
InChIKeyLMUCZFDSIQCLKT-SPDVFEMOSA-N
MW292.26 g/mol
LogP-1.59
Rot. Bonds2

About 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one

6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one (PubChem CID 168782879) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one.

Molecular Properties

Compound Name6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one
PubChem CID168782879
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one
SMILESO=c1c2ccn([C@H]3CC(O)[C@@H](CO)O3)c2nc2nn[nH]n12
InChIInChI=1S/C11H12N6O4/c18-4-7-6(19)3-8(21-7)16-2-1-5-9(16)12-11-13-14-15-17(11)10(5)20/h1-2,6-8,18-19H,3-4H2,(H,12,13,15)/t6?,7-,8-/m1/s1
InChIKeyLMUCZFDSIQCLKT-SPDVFEMOSA-N
XLogP-1.59
TPSA130.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one 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

7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
3,4-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
CID 102088718
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
3-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimido[1,2-a]purin-10-one
CID 154701352
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
5-(2-amino-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;7-(5-ethyl-4-methyloxolan-2-yl)-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-2-amine
CID 90920522
4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 159747826

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one?
The IUPAC name of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one (CID 168782879) is 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one.
What is the SMILES notation for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one?
The canonical SMILES for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one is O=c1c2ccn([C@H]3CC(O)[C@@H](CO)O3)c2nc2nn[nH]n12.
What is the InChIKey of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one?
The InChIKey is LMUCZFDSIQCLKT-SPDVFEMOSA-N. The full InChI is InChI=1S/C11H12N6O4/c18-4-7-6(19)3-8(21-7)16-2-1-5-9(16)12-11-13-14-15-17(11)10(5)20/h1-2,6-8,18-19H,3-4H2,(H,12,13,15)/t6?,7-,8-/m1/s1.
What are the key properties of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one?
6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one has a molecular weight of 292.26 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6,8,10,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one is sourced from PubChem (CID 168782879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).