3-amino-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

C15H16FN5O5 — CID 140510474

IUPAC3-amino-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
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc2c(N)c(F)c3c(=O)[nH]ncc(n1)c23
InChIInChI=1S/C15H16FN5O5/c1-15(25)12(23)7(4-22)26-14(15)21-3-5-8-6(20-21)2-18-19-13(24)9(8)10(16)11(5)17/h2-3,7,12,14,22-23,25H,4,17H2,1H3,(H,19,24)/t7-,12-,14-,15-/m1/s1
InChIKeyVZUQGBKHIGJPKY-FSBYYBCWSA-N
MW365.32 g/mol
LogP-1.00
Rot. Bonds2

About 3-amino-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

3-amino-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 140510474) has the molecular formula C15H16FN5O5 and a molecular weight of 365.32 g/mol. Its IUPAC name is 3-amino-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 Name3-amino-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 CID140510474
Molecular FormulaC15H16FN5O5
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name3-amino-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
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc2c(N)c(F)c3c(=O)[nH]ncc(n1)c23
InChIInChI=1S/C15H16FN5O5/c1-15(25)12(23)7(4-22)26-14(15)21-3-5-8-6(20-21)2-18-19-13(24)9(8)10(16)11(5)17/h2-3,7,12,14,22-23,25H,4,17H2,1H3,(H,19,24)/t7-,12-,14-,15-/m1/s1
InChIKeyVZUQGBKHIGJPKY-FSBYYBCWSA-N
XLogP-1.00
TPSA159.51 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 3-amino-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 3-amino-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 3-amino-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 140510474) is 3-amino-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 3-amino-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 3-amino-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]1n1cc2c(N)c(F)c3c(=O)[nH]ncc(n1)c23.
What is the InChIKey of 3-amino-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 VZUQGBKHIGJPKY-FSBYYBCWSA-N. The full InChI is InChI=1S/C15H16FN5O5/c1-15(25)12(23)7(4-22)26-14(15)21-3-5-8-6(20-21)2-18-19-13(24)9(8)10(16)11(5)17/h2-3,7,12,14,22-23,25H,4,17H2,1H3,(H,19,24)/t7-,12-,14-,15-/m1/s1.
What are the key properties of 3-amino-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?
3-amino-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 365.32 g/mol, XLogP of -1.00, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-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 140510474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).