6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one

C15H15FN4O5 — CID 140510447

IUPAC6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc2cc(F)c3c(=O)[nH]ncc(n1)c23
InChIInChI=1S/C15H15FN4O5/c1-15(24)12(22)9(5-21)25-14(15)20-4-6-2-7(16)11-10(6)8(19-20)3-17-18-13(11)23/h2-4,9,12,14,21-22,24H,5H2,1H3,(H,18,23)/t9-,12-,14-,15-/m1/s1
InChIKeyNNISNLOVOJMBJJ-WZZPKWGDSA-N
MW350.31 g/mol
LogP-0.59
Rot. Bonds2

About 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one

6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one (PubChem CID 140510447) has the molecular formula C15H15FN4O5 and a molecular weight of 350.31 g/mol. Its IUPAC name is 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one.

Molecular Properties

Compound Name6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one
PubChem CID140510447
Molecular FormulaC15H15FN4O5
Molecular Weight350.31 g/mol
Exact Mass350.10
IUPAC Name6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc2cc(F)c3c(=O)[nH]ncc(n1)c23
InChIInChI=1S/C15H15FN4O5/c1-15(24)12(22)9(5-21)25-14(15)20-4-6-2-7(16)11-10(6)8(19-20)3-17-18-13(11)23/h2-4,9,12,14,21-22,24H,5H2,1H3,(H,18,23)/t9-,12-,14-,15-/m1/s1
InChIKeyNNISNLOVOJMBJJ-WZZPKWGDSA-N
XLogP-0.59
TPSA133.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one?
The IUPAC name of 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one (CID 140510447) is 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one.
What is the SMILES notation for 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one?
The canonical SMILES for 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc2cc(F)c3c(=O)[nH]ncc(n1)c23.
What is the InChIKey of 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one?
The InChIKey is NNISNLOVOJMBJJ-WZZPKWGDSA-N. The full InChI is InChI=1S/C15H15FN4O5/c1-15(24)12(22)9(5-21)25-14(15)20-4-6-2-7(16)11-10(6)8(19-20)3-17-18-13(11)23/h2-4,9,12,14,21-22,24H,5H2,1H3,(H,18,23)/t9-,12-,14-,15-/m1/s1.
What are the key properties of 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one?
6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one has a molecular weight of 350.31 g/mol, XLogP of -0.59, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-fluoro-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one is sourced from PubChem (CID 140510447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).